(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine

C18H20BrN — CID 81378467

IUPAC(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
SMILESC[C@@H](NC(c1ccccc1)C1CC1)c1ccccc1Br
InChIInChI=1S/C18H20BrN/c1-13(16-9-5-6-10-17(16)19)20-18(15-11-12-15)14-7-3-2-4-8-14/h2-10,13,15,18,20H,11-12H2,1H3/t13-,18?/m1/s1
InChIKeyQLAIIXJWUZYPCK-YJJYDOSJSA-N
MW330.27 g/mol
LogP5.25
Rot. Bonds5

About (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine (PubChem CID 81378467) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
PubChem CID81378467
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
SMILESC[C@@H](NC(c1ccccc1)C1CC1)c1ccccc1Br
InChIInChI=1S/C18H20BrN/c1-13(16-9-5-6-10-17(16)19)20-18(15-11-12-15)14-7-3-2-4-8-14/h2-10,13,15,18,20H,11-12H2,1H3/t13-,18?/m1/s1
InChIKeyQLAIIXJWUZYPCK-YJJYDOSJSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781974
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine
CID 97321709
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383104
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine (CID 81378467) is (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine is C[C@@H](NC(c1ccccc1)C1CC1)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine?
The InChIKey is QLAIIXJWUZYPCK-YJJYDOSJSA-N. The full InChI is InChI=1S/C18H20BrN/c1-13(16-9-5-6-10-17(16)19)20-18(15-11-12-15)14-7-3-2-4-8-14/h2-10,13,15,18,20H,11-12H2,1H3/t13-,18?/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine?
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine has a molecular weight of 330.27 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine is sourced from PubChem (CID 81378467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).