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

C15H14Cl2FN — CID 103041153

IUPAC3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2FN/c16-13-4-2-1-3-12(13)11(9-19)7-10-5-6-15(18)14(17)8-10/h1-6,8,11H,7,9,19H2
InChIKeyXTLGYMHFFBUWSR-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.42
Rot. Bonds4

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

3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine (PubChem CID 103041153) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
PubChem CID103041153
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2FN/c16-13-4-2-1-3-12(13)11(9-19)7-10-5-6-15(18)14(17)8-10/h1-6,8,11H,7,9,19H2
InChIKeyXTLGYMHFFBUWSR-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
CID 103038733
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 106271749
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
CID 114013903
2-(2-chlorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182315
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine (CID 103041153) is 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine is NCC(Cc1ccc(F)c(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine?
The InChIKey is XTLGYMHFFBUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c16-13-4-2-1-3-12(13)11(9-19)7-10-5-6-15(18)14(17)8-10/h1-6,8,11H,7,9,19H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine?
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine has a molecular weight of 298.19 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine is sourced from PubChem (CID 103041153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).