3-(1,1-Dimethylethyl)benzenamine

C₁₀H₁₅NCAS 5369-19-7149.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₅N
Molar mass: 149.24 g/mol
Exact mass: 149.1204 Da
Boiling point: 83–84 °C (at 2 Torr)
logP: 2.57Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled18.2% of notifiers
H302 Harmful if swallowed90.9% of notifiers
H312 Harmful in contact with skin54.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled54.5% of notifiers
H335 May cause respiratory irritation81.8% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5369-19-7

SMILES

CC(C)(C)c1cccc(N)c1

InChIKey

DPKTVUKEPNBABS-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzenamine, 3-(1,1-dimethylethyl)-
Aniline, m-tert-butyl-
3-tert-Butylaniline
m-tert-Butylaniline
3-tert-Butylphenylamine
3-(1,1-Dimethylethyl)aniline

Work with 3-(1,1-Dimethylethyl)benzenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Di-tert-butylbenzene1014-60-465 % similar 3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-160 % similar 3-(Trifluoromethyl)aniline98-16-857 % similar 4-tert-Butylaniline769-92-654 % similar 2,2-Bis(3-aminophenyl)hexafluoropropane47250-53-353 % similar M-Phenylenediamine108-45-252 % similar 1-Bromo-3-tert-butylbenzene3972-64-352 % similar 3-tert-Butylphenol585-34-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropylbenzylamine102-97-6 4-Butylaniline104-13-2 N-Butylaniline1126-78-9 Benzenebutanamine13214-66-9 (alphaS)-N,N,alpha-Trimethylbenzenemethanamine17279-31-1 3,4-Dimethylphenethylamine17283-14-6 (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9 2-Amino-p-cymene2051-53-8

Elsewhere

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