N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine

C18H22BrN — CID 81383104

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(N[C@@H](C)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C18H22BrN/c1-13(2)18(15-9-5-4-6-10-15)20-14(3)16-11-7-8-12-17(16)19/h4-14,18,20H,1-3H3/t14-,18?/m0/s1
InChIKeyOJQXAOOPGVRMCB-PIVQAISJSA-N
MW332.29 g/mol
LogP5.50
Rot. Bonds5

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine

N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 81383104) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID81383104
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(N[C@@H](C)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C18H22BrN/c1-13(2)18(15-9-5-4-6-10-15)20-14(3)16-11-7-8-12-17(16)19/h4-14,18,20H,1-3H3/t14-,18?/m0/s1
InChIKeyOJQXAOOPGVRMCB-PIVQAISJSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine
CID 81379499
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685413
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81378602
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine (CID 81383104) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(N[C@@H](C)c1ccccc1Br)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is OJQXAOOPGVRMCB-PIVQAISJSA-N. The full InChI is InChI=1S/C18H22BrN/c1-13(2)18(15-9-5-4-6-10-15)20-14(3)16-11-7-8-12-17(16)19/h4-14,18,20H,1-3H3/t14-,18?/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 81383104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).