(1S)-1-(2-bromophenyl)-N-methylethanamine

C9H12BrN — CID 30122083

IUPAC(1S)-1-(2-bromophenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C9H12BrN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m0/s1
InChIKeyXECFTYRSJJZEDU-ZETCQYMHSA-N
MW214.11 g/mol
LogP2.73
Rot. Bonds2

About (1S)-1-(2-bromophenyl)-N-methylethanamine

(1S)-1-(2-bromophenyl)-N-methylethanamine (PubChem CID 30122083) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-methylethanamine
PubChem CID30122083
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name(1S)-1-(2-bromophenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C9H12BrN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m0/s1
InChIKeyXECFTYRSJJZEDU-ZETCQYMHSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
CID 172883004
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine
CID 43824431
2-[(1S)-1-(methylamino)ethyl]benzenethiol
CID 131140509
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide
CID 81383906
2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol
CID 116960199

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-methylethanamine (CID 30122083) is (1S)-1-(2-bromophenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-methylethanamine is CN[C@@H](C)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-methylethanamine?
The InChIKey is XECFTYRSJJZEDU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-methylethanamine?
(1S)-1-(2-bromophenyl)-N-methylethanamine has a molecular weight of 214.11 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 30122083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).