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

C15H14F3N — CID 64505128

IUPAC1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine
SMILESNC(CCc1ccc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H14F3N/c16-12-8-6-11(14(17)15(12)18)7-9-13(19)10-4-2-1-3-5-10/h1-6,8,13H,7,9,19H2
InChIKeyPEKBTPBTYHYGMF-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.74
Rot. Bonds4

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

1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine (PubChem CID 64505128) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine
PubChem CID64505128
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine
SMILESNC(CCc1ccc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H14F3N/c16-12-8-6-11(14(17)15(12)18)7-9-13(19)10-4-2-1-3-5-10/h1-6,8,13H,7,9,19H2
InChIKeyPEKBTPBTYHYGMF-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107514342
1-(3-chloropentyl)-2,3,4-trifluorobenzene
CID 64509327
1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 64506062
3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine
CID 43175857
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 64505603
3-(furan-3-yl)-1-phenylpropan-1-amine
CID 64505845
3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine
CID 91132178
3-(2-cyclobutylphenyl)-1-phenylpropan-1-amine
CID 114606196
4-amino-1-fluoro-4-phenylbutan-1-ol
CID 102340045
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The IUPAC name of 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine (CID 64505128) is 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The canonical SMILES for 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine is NC(CCc1ccc(F)c(F)c1F)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The InChIKey is PEKBTPBTYHYGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c16-12-8-6-11(14(17)15(12)18)7-9-13(19)10-4-2-1-3-5-10/h1-6,8,13H,7,9,19H2.
What are the key properties of 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 64505128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).