1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine

C16H17BrFN — CID 106644665

IUPAC1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C16H17BrFN/c1-2-11-16(19,12-7-4-3-5-8-12)13-9-6-10-14(17)15(13)18/h3-10H,2,11,19H2,1H3
InChIKeyHEHGAVKBGJWEHR-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.59
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine

1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine (PubChem CID 106644665) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
PubChem CID106644665
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C16H17BrFN/c1-2-11-16(19,12-7-4-3-5-8-12)13-9-6-10-14(17)15(13)18/h3-10H,2,11,19H2,1H3
InChIKeyHEHGAVKBGJWEHR-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 62963914
1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106644707
2-(3-bromo-2-fluorophenyl)pentan-2-ol
CID 106644500
1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
CID 62789738
2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 117047799
2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine
CID 106644681
1-chloro-1-phenylbutan-1-amine
CID 174514762
1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine
CID 66274156
1,1-diphenylpentan-1-amine
CID 10263654
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol
CID 106645055
1,1-diphenylhexan-1-amine
CID 20568221

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine (CID 106644665) is 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine is CCCC(N)(c1ccccc1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine?
The InChIKey is HEHGAVKBGJWEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-2-11-16(19,12-7-4-3-5-8-12)13-9-6-10-14(17)15(13)18/h3-10H,2,11,19H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine?
1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine has a molecular weight of 322.22 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 106644665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).