5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine

C13H19BrFN — CID 64716995

IUPAC5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCC(N)CC(C)(C)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFN/c1-9(16)7-13(2,3)8-10-4-5-11(15)6-12(10)14/h4-6,9H,7-8,16H2,1-3H3
InChIKeyXDNGYIAOKOIPDX-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.89
Rot. Bonds4

About 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine

5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine (PubChem CID 64716995) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine
PubChem CID64716995
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCC(N)CC(C)(C)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFN/c1-9(16)7-13(2,3)8-10-4-5-11(15)6-12(10)14/h4-6,9H,7-8,16H2,1-3H3
InChIKeyXDNGYIAOKOIPDX-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methylsulfanyl]propan-2-amine
CID 66218498
4-(2-bromo-4-fluorophenyl)-3,3-dimethylbutanoic acid
CID 81004360
1-(4-bromo-2,2-dimethylpentyl)-2-chloro-4-fluorobenzene
CID 64717266
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189
1-[(2-bromo-4-fluorophenyl)methylsulfonyl]propan-2-amine
CID 81189216
2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62724903
1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053380
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol
CID 114349443
1-(2-bromo-4-fluorophenyl)-4,5,5-trimethylhexan-2-one
CID 114967990
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-bromo-1-(4-bromopentyl)-4-fluorobenzene
CID 64508019

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine (CID 64716995) is 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine is CC(N)CC(C)(C)Cc1ccc(F)cc1Br.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is XDNGYIAOKOIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(16)7-13(2,3)8-10-4-5-11(15)6-12(10)14/h4-6,9H,7-8,16H2,1-3H3.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine?
5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 64716995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).