1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine

C16H17BrFN — CID 114894528

IUPAC1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFN/c17-13-9-10-15(18)14(11-13)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8,19H2
InChIKeyHPODUZZOABKMEJ-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.61
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine

1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine (PubChem CID 114894528) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
PubChem CID114894528
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFN/c17-13-9-10-15(18)14(11-13)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8,19H2
InChIKeyHPODUZZOABKMEJ-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114894603
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 64505603
1-(4-bromo-3-chloro-2-fluorophenyl)-4-phenylbutan-1-amine
CID 106764641
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
1-(5-bromo-2-fluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 114894612
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
CID 115849493

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine (CID 114894528) is 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine is NC(CCCc1ccccc1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine?
The InChIKey is HPODUZZOABKMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c17-13-9-10-15(18)14(11-13)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8,19H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine?
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine has a molecular weight of 322.22 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 114894528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).