(2S)-4-(3-bromophenyl)butan-2-amine

C10H14BrN — CID 93264333

IUPAC(2S)-4-(3-bromophenyl)butan-2-amine
SMILESC[C@H](N)CCc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8H,5-6,12H2,1H3/t8-/m0/s1
InChIKeyLKRJBZHZYJQQLC-QMMMGPOBSA-N
MW228.13 g/mol
LogP2.73
Rot. Bonds3

About (2S)-4-(3-bromophenyl)butan-2-amine

(2S)-4-(3-bromophenyl)butan-2-amine (PubChem CID 93264333) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (2S)-4-(3-bromophenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(3-bromophenyl)butan-2-amine
PubChem CID93264333
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(2S)-4-(3-bromophenyl)butan-2-amine
SMILESC[C@H](N)CCc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8H,5-6,12H2,1H3/t8-/m0/s1
InChIKeyLKRJBZHZYJQQLC-QMMMGPOBSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(3-fluorobutyl)benzene
CID 84694256
(2S)-4-(3,5-dibromophenyl)butan-2-amine
CID 130719784
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
(2S)-4-phenylbutan-2-amine
CID 6994564
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
1-(3-bromophenyl)heptan-4-amine
CID 64504358
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
1-(3-bromophenyl)-3-ethoxybutan-2-amine
CID 64540486
4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine
CID 84730321
N'-[2-(3-bromophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115203423

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-bromophenyl)butan-2-amine?
The IUPAC name of (2S)-4-(3-bromophenyl)butan-2-amine (CID 93264333) is (2S)-4-(3-bromophenyl)butan-2-amine.
What is the SMILES notation for (2S)-4-(3-bromophenyl)butan-2-amine?
The canonical SMILES for (2S)-4-(3-bromophenyl)butan-2-amine is C[C@H](N)CCc1cccc(Br)c1.
What is the InChIKey of (2S)-4-(3-bromophenyl)butan-2-amine?
The InChIKey is LKRJBZHZYJQQLC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8H,5-6,12H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-4-(3-bromophenyl)butan-2-amine?
(2S)-4-(3-bromophenyl)butan-2-amine has a molecular weight of 228.13 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-bromophenyl)butan-2-amine is sourced from PubChem (CID 93264333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).