4-(1,1-Dimethylethyl)benzenemethanamine

C₁₁H₁₇NCAS 39895-55-1163.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₇N
Molar mass: 163.26 g/mol
Exact mass: 163.1361 Da
logP: 2.44Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage20.4% of notifiers
H319 Causes serious eye irritation79.6% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, P501

Identifiers

CAS number

39895-55-1

SMILES

CC(C)(C)c1ccc(CN)cc1

InChIKey

MPWSRGAWRAYBJK-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3

Weigh it out

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

Names and synonyms

7 names

Benzenemethanamine, 4-(1,1-dimethylethyl)-
4-tert-Butylbenzylamine
p-tert-Butylbenzylamine
[(4-tert-Butylphenyl)methyl]amine
4-t-Butylbenzylamine
(4-tert-Butylphenyl)methanamine
4-(Tertbuthyl)benzylamine

Work with 4-(1,1-Dimethylethyl)benzenemethanamine

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

2-(4-tert-Butylphenyl)ethan-1-amine91552-82-865 % similar 4,4'-Di-tert-butyldiphenylmethane19099-48-063 % similar 1,4-Di-tert-butylbenzene1012-72-257 % similar P-Xylylenediamine539-48-057 % similar 4-tert-Butylbenzyl bromide18880-00-756 % similar 4-tert-Butylbenzyl chloride19692-45-656 % similar 4-(Trifluoromethyl)benzylamine3300-51-456 % similar 4-(tert-Butyl)benzyl mercaptan49543-63-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Hexylpyridine1129-69-7 N,N,2,4,6-Pentamethylbenzenamine13021-15-3 N-Butylbenzylamine2403-22-7 2,6-Diethyl-4-methylbenzenamine24544-08-9 4-Pentylaniline33228-44-3 N-(1,1-Dimethylethyl)benzenemethanamine3378-72-1 4-N-Butylbenzylamine57802-79-6 N,N-Diethyl-o-toluidine606-46-2

Elsewhere

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