(2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine

C10H13BrClN — CID 68543639

IUPAC(2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine
SMILESCC[C@](C)(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H13BrClN/c1-3-10(2,13)8-6-7(11)4-5-9(8)12/h4-6H,3,13H2,1-2H3/t10-/m0/s1
InChIKeyHDCPTVHSPZNHAP-JTQLQIEISA-N
MW262.58 g/mol
LogP3.69
Rot. Bonds2

About (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine

(2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine (PubChem CID 68543639) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine
PubChem CID68543639
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name(2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine
SMILESCC[C@](C)(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H13BrClN/c1-3-10(2,13)8-6-7(11)4-5-9(8)12/h4-6H,3,13H2,1-2H3/t10-/m0/s1
InChIKeyHDCPTVHSPZNHAP-JTQLQIEISA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
2-(3-Bromophenyl)propan-2-amine hydrochloride
CID 53256543
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
2-(3-Bromophenyl)hexan-2-amine
CID 62622557
1-(5-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 122360018
1-(3-Bromophenyl)-1-methylethylamine
CID 13025666
1-(4-Bromo-3-chlorophenyl)cyclopropan-1-amine
CID 129954263
2-(2-Bromo-5-chlorophenyl)propan-2-amine
CID 83726022
1-(3-Bromophenyl)-3-methylcyclopent-3-en-1-amine
CID 11161076
1-(2-Bromo-6-chlorophenyl)ethan-1-amine
CID 84698107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine?
The IUPAC name of (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine (CID 68543639) is (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine.
What is the SMILES notation for (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine?
The canonical SMILES for (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine is CC[C@](C)(N)c1cc(Br)ccc1Cl.
What is the InChIKey of (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine?
The InChIKey is HDCPTVHSPZNHAP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13BrClN/c1-3-10(2,13)8-6-7(11)4-5-9(8)12/h4-6H,3,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine?
(2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine has a molecular weight of 262.58 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine is sourced from PubChem (CID 68543639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).