chempirical

4-Isopropylbenzylamine

C10H15NCAS 4395-73-7149.24 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C10H15N
Molar mass
149.24 g/mol
Exact mass
149.1204 Da
logP
2.27Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4395-73-7
SMILES
CC(C)C1=CC=C(C=C1)CN
InChIKey
YQSHYGCCYVPRDI-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7,11H2,1-2H3

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Work with 4-Isopropylbenzylamine

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

1,4-Diisopropylbenzene100-18-557 % similar P-Xylylenediamine539-48-057 % similar 4-Isopropylbenzyl chloride2051-18-556 % similar p-Cymen-7-ol536-60-756 % similar 4-Methylbenzylamine104-84-750 % similar 4,4'-Diisopropylbiphenyl18970-30-450 % similar 4-Isopropylphenylacetonitrile4395-87-350 % similar 4-Isopropylaniline99-88-750 % 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 (αS)-N,N,α-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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