3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine

C15H14ClF2N — CID 114858839

IUPAC3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1F)c1cccc(F)c1
InChIInChI=1S/C15H14ClF2N/c16-13-5-4-11(15(18)8-13)6-12(9-19)10-2-1-3-14(17)7-10/h1-5,7-8,12H,6,9,19H2
InChIKeyGXIAANNTUPZCFW-UHFFFAOYSA-N
MW281.73 g/mol
LogP3.90
Rot. Bonds4

About 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine

3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine (PubChem CID 114858839) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
PubChem CID114858839
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1F)c1cccc(F)c1
InChIInChI=1S/C15H14ClF2N/c16-13-5-4-11(15(18)8-13)6-12(9-19)10-2-1-3-14(17)7-10/h1-5,7-8,12H,6,9,19H2
InChIKeyGXIAANNTUPZCFW-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
CID 79442407
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440610
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114348931
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine (CID 114858839) is 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine is NCC(Cc1ccc(Cl)cc1F)c1cccc(F)c1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine?
The InChIKey is GXIAANNTUPZCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-13-5-4-11(15(18)8-13)6-12(9-19)10-2-1-3-14(17)7-10/h1-5,7-8,12H,6,9,19H2.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine?
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine has a molecular weight of 281.73 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114858839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).