1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine

C16H17BrFN — CID 55095032

IUPAC1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN/c17-14-8-7-13(16(18)11-14)10-15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,11,15H,6,9-10,19H2
InChIKeyXNCOJGRZVSCGKP-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine

1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine (PubChem CID 55095032) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
PubChem CID55095032
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN/c17-14-8-7-13(16(18)11-14)10-15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,11,15H,6,9-10,19H2
InChIKeyXNCOJGRZVSCGKP-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
CID 64559852
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
CID 170892207
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105137092
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
CID 114894528
1,4-diphenylbutan-2-amine
CID 60820174
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine (CID 55095032) is 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine is NC(CCc1ccccc1)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine?
The InChIKey is XNCOJGRZVSCGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c17-14-8-7-13(16(18)11-14)10-15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,11,15H,6,9-10,19H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine?
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine has a molecular weight of 322.22 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 55095032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).