1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine

C13H19BrFN — CID 115850151

IUPAC1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFN/c1-13(2,3)7-6-12(16)10-8-9(15)4-5-11(10)14/h4-5,8,12H,6-7,16H2,1-3H3
InChIKeyAJAPTFMJBBXMNS-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.41
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine

1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine (PubChem CID 115850151) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
PubChem CID115850151
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFN/c1-13(2,3)7-6-12(16)10-8-9(15)4-5-11(10)14/h4-5,8,12H,6-7,16H2,1-3H3
InChIKeyAJAPTFMJBBXMNS-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646
(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 115849776
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
1-(2-bromo-5-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114210895
1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine
CID 116934749
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
CID 115850161
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130985582
(1S)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130939820

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine (CID 115850151) is 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCC(N)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine?
The InChIKey is AJAPTFMJBBXMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-13(2,3)7-6-12(16)10-8-9(15)4-5-11(10)14/h4-5,8,12H,6-7,16H2,1-3H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine?
1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115850151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).