(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine

C10H13BrClN — CID 130740924

IUPAC(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1cccc(Cl)c1Br
InChIInChI=1S/C10H13BrClN/c1-6(2)10(13)7-4-3-5-8(12)9(7)11/h3-6,10H,13H2,1-2H3/t10-/m0/s1
InChIKeyOOOFDCPGVWDMFK-JTQLQIEISA-N
MW262.58 g/mol
LogP3.76
Rot. Bonds2

About (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine

(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine (PubChem CID 130740924) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
PubChem CID130740924
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1cccc(Cl)c1Br
InChIInChI=1S/C10H13BrClN/c1-6(2)10(13)7-4-3-5-8(12)9(7)11/h3-6,10H,13H2,1-2H3/t10-/m0/s1
InChIKeyOOOFDCPGVWDMFK-JTQLQIEISA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
CID 131107919
1-(2,3-dibromophenyl)-2-methylpropan-1-amine
CID 130000512
1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
CID 83689427
(1S)-1-(2-bromo-3-chlorophenyl)-2,2,2-trifluoroethanamine
CID 130667190
(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
(1S)-1-(3-bromo-2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 130968986
3-bromo-4-(2-bromo-3-chlorophenyl)pentan-2-one
CID 103481508
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-6-chlorophenol
CID 131290563
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
CID 130043324
(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130649369

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine (CID 130740924) is (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine is CC(C)[C@H](N)c1cccc(Cl)c1Br.
What is the InChIKey of (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine?
The InChIKey is OOOFDCPGVWDMFK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13BrClN/c1-6(2)10(13)7-4-3-5-8(12)9(7)11/h3-6,10H,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine?
(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine has a molecular weight of 262.58 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130740924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).