(2S)-2-Methyl-3-phenylpropan-1-amine

C10H15NCAS 89999-55-3149.24 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C10H15N
Molar mass
149.24 g/mol
Exact mass
149.1204 Da
logP
1.82Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
89999-55-3
SMILES
C[C@@H](CC1=CC=CC=C1)CN
InChIKey
SVBLNCJETIXIPV-VIFPVBQESA-N
InChI
InChI=1S/C10H15N/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m0/s1

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Work with (2S)-2-Methyl-3-phenylpropan-1-amine

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

Amphetamine300-62-957 % similar D-Amphetamine51-64-957 % similar 1-Amino-3-phenylpropan-2-ol50411-26-253 % similar Isobutylbenzene538-93-252 % similar 1-Phenyl-2-propanol14898-87-447 % similar (S)-1-Phenyl-2-propanol1517-68-647 % similar (R)-1-Phenyl-2-propanol1572-95-847 % similar (2S)-2-Phenylpropan-1-amine17596-79-147 % 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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