(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine

C11H15BrFN — CID 130941665

IUPAC(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)[C@](C)(N)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFN/c1-7(2)11(3,14)9-5-4-8(13)6-10(9)12/h4-7H,14H2,1-3H3/t11-/m0/s1
InChIKeyPSULQSRMCKQLGI-NSHDSACASA-N
MW260.15 g/mol
LogP3.42
Rot. Bonds2

About (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine

(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine (PubChem CID 130941665) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine
PubChem CID130941665
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)[C@](C)(N)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFN/c1-7(2)11(3,14)9-5-4-8(13)6-10(9)12/h4-7H,14H2,1-3H3/t11-/m0/s1
InChIKeyPSULQSRMCKQLGI-NSHDSACASA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene
CID 176962809
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424
5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 64716995
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 83160097
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
2-bromo-N-(5,5-dimethylhexan-2-yl)-5-fluoroaniline
CID 114279957
2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one
CID 84705510
[(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid
CID 11645166
4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine (CID 130941665) is (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine is CC(C)[C@](C)(N)c1ccc(F)cc1Br.
What is the InChIKey of (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine?
The InChIKey is PSULQSRMCKQLGI-NSHDSACASA-N. The full InChI is InChI=1S/C11H15BrFN/c1-7(2)11(3,14)9-5-4-8(13)6-10(9)12/h4-7H,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine?
(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine has a molecular weight of 260.15 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 130941665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).