(2S)-4-(3,5-dibromophenyl)butan-2-amine

C10H13Br2N — CID 130719784

IUPAC(2S)-4-(3,5-dibromophenyl)butan-2-amine
SMILESC[C@H](N)CCc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2N/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyREWYOXCFVJUOJH-ZETCQYMHSA-N
MW307.03 g/mol
LogP3.49
Rot. Bonds3

About (2S)-4-(3,5-dibromophenyl)butan-2-amine

(2S)-4-(3,5-dibromophenyl)butan-2-amine (PubChem CID 130719784) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is (2S)-4-(3,5-dibromophenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(3,5-dibromophenyl)butan-2-amine
PubChem CID130719784
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name(2S)-4-(3,5-dibromophenyl)butan-2-amine
SMILESC[C@H](N)CCc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2N/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyREWYOXCFVJUOJH-ZETCQYMHSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
CID 79701954
(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
CID 131289439
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
(2S)-4-phenylbutan-2-amine
CID 6994564
(2S)-4-(3-chloro-5-methylphenyl)butan-2-amine
CID 130649433
4-(3-aminobutyl)-2-bromo-6-ethoxyphenol
CID 83954219
(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine
CID 130650457
(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
CID 131320571
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
(2S)-4-[3-tert-butyl-5-(trifluoromethyl)phenyl]butan-2-amine
CID 90210058

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3,5-dibromophenyl)butan-2-amine?
The IUPAC name of (2S)-4-(3,5-dibromophenyl)butan-2-amine (CID 130719784) is (2S)-4-(3,5-dibromophenyl)butan-2-amine.
What is the SMILES notation for (2S)-4-(3,5-dibromophenyl)butan-2-amine?
The canonical SMILES for (2S)-4-(3,5-dibromophenyl)butan-2-amine is C[C@H](N)CCc1cc(Br)cc(Br)c1.
What is the InChIKey of (2S)-4-(3,5-dibromophenyl)butan-2-amine?
The InChIKey is REWYOXCFVJUOJH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-4-(3,5-dibromophenyl)butan-2-amine?
(2S)-4-(3,5-dibromophenyl)butan-2-amine has a molecular weight of 307.03 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3,5-dibromophenyl)butan-2-amine is sourced from PubChem (CID 130719784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).