chempirical

Isopropylbenzylamine

C10H15NCAS 102-97-6149.24 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C10H15N
Molar mass
149.24 g/mol
Exact mass
149.1204 Da
Melting point
103–104 °C
Boiling point
200 °C
logP
2.18Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
102-97-6
SMILES
CC(C)NCc1ccccc1
InChIKey
LYBKPDDZTNUNNM-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Benzenemethanamine, N-(1-methylethyl)-
  • Benzylamine, N-isopropyl-
  • N-(1-Methylethyl)benzenemethanamine
  • N-Isopropylbenzylamine
  • Benzylisopropylamine
  • N-Benzyl-N-isopropylamine
  • N-Benzylisopropylamine
  • NSC 60295
  • N-Benzylpropan-2-amine
  • N-Isopropyl-N-benzylamine
  • (1-Methylethyl)(phenylmethyl)amine

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-N-Benzyl-1-phenylethylamine17480-69-261 % similar (+)-Benzylphenethylamine38235-77-761 % similar Dibenzylamine103-49-150 % similar N-Methylbenzylamine103-67-350 % similar Ethylbenzylamine14321-27-846 % similar Benzathine140-28-346 % similar 4-Methoxy-α-methyl-N-(phenylmethyl)benzeneethanamine43229-65-846 % similar N-(1,1-Dimethylethyl)benzenemethanamine3378-72-145 % similar

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

Same formula

4-Butylaniline104-13-2 N-Butylaniline1126-78-9 Benzenebutanamine13214-66-9 (αS)-N,N,α-Trimethylbenzenemethanamine17279-31-1 (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9 2-Amino-p-cymene2051-53-8 1-Methyl-3-phenylpropylamine22148-77-2 1-Methyl-3-phenylpropylamine22374-89-6

Elsewhere

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