(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine

C10H13BrClN — CID 131126672

IUPAC(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
SMILESC[C@H](N)CCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClN/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyVOTNVZCAZJXKPB-ZETCQYMHSA-N
MW262.58 g/mol
LogP3.38
Rot. Bonds3

About (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine

(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine (PubChem CID 131126672) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
PubChem CID131126672
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
SMILESC[C@H](N)CCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClN/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyVOTNVZCAZJXKPB-ZETCQYMHSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-aminobutyl)-5-bromophenol
CID 130001244
(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
CID 131320571
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene
CID 113471429
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
1-(2-chloro-4-methylphenyl)-4-methylpentan-3-amine
CID 106864879
1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759497
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
(2S)-N-[(4-bromo-2-chlorophenyl)methyl]-3-methylbutan-2-amine
CID 97357838
3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide
CID 172652070

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine?
The IUPAC name of (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine (CID 131126672) is (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine.
What is the SMILES notation for (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine?
The canonical SMILES for (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine is C[C@H](N)CCc1ccc(Br)cc1Cl.
What is the InChIKey of (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine?
The InChIKey is VOTNVZCAZJXKPB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-7H,2-3,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine?
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine has a molecular weight of 262.58 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine is sourced from PubChem (CID 131126672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).