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

C16H17BrFN — CID 64505603

IUPAC4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
SMILESNC(CCCc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C16H17BrFN/c17-14-9-10-15(18)13(11-14)7-4-8-16(19)12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8,19H2
InChIKeyNOSPOIDKBUDSDM-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.61
Rot. Bonds5

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

4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine (PubChem CID 64505603) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
PubChem CID64505603
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
SMILESNC(CCCc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C16H17BrFN/c17-14-9-10-15(18)13(11-14)7-4-8-16(19)12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8,19H2
InChIKeyNOSPOIDKBUDSDM-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

5-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 64514586
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
CID 114894528
3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine
CID 43175857
4-amino-1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-one
CID 116553131
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine
CID 114673476
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745605
1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 64505128
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
1-(5-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105131693
4-amino-1-(5-bromo-2-fluorophenyl)-3-phenylbutan-2-one
CID 116567136

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine (CID 64505603) is 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine is NC(CCCc1cc(Br)ccc1F)c1ccccc1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine?
The InChIKey is NOSPOIDKBUDSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c17-14-9-10-15(18)13(11-14)7-4-8-16(19)12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8,19H2.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine?
4-(5-bromo-2-fluorophenyl)-1-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 4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 64505603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).