1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine

C16H16F3N — CID 62963914

IUPAC1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
SMILESCCCC(N)(c1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H16F3N/c1-2-10-16(20,11-6-4-3-5-7-11)12-8-9-13(17)15(19)14(12)18/h3-9H,2,10,20H2,1H3
InChIKeyFZIYKVXHKCOPCR-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.11
Rot. Bonds4

About 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine

1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine (PubChem CID 62963914) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound Name1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
PubChem CID62963914
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
SMILESCCCC(N)(c1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H16F3N/c1-2-10-16(20,11-6-4-3-5-7-11)12-8-9-13(17)15(19)14(12)18/h3-9H,2,10,20H2,1H3
InChIKeyFZIYKVXHKCOPCR-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 106644665
1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
CID 62789738
2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine
CID 112566344
diphenyl-(2,3,4-trifluorophenyl)methanol
CID 175484438
1-chloro-1-phenylbutan-1-amine
CID 174514762
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine
CID 66274156
1,1-diphenylpentan-1-amine
CID 10263654
1-(4-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 114853480
1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 103047860
1,1-diphenylhexan-1-amine
CID 20568221
3-phenylhexan-3-amine
CID 60794511

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The IUPAC name of 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine (CID 62963914) is 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine.
What is the SMILES notation for 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The canonical SMILES for 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine is CCCC(N)(c1ccccc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The InChIKey is FZIYKVXHKCOPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-2-10-16(20,11-6-4-3-5-7-11)12-8-9-13(17)15(19)14(12)18/h3-9H,2,10,20H2,1H3.
What are the key properties of 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine?
1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 62963914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).