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

C15H14Cl2FN — CID 79443118

IUPAC3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c16-13-3-1-2-10(7-13)12(9-19)6-11-4-5-14(18)8-15(11)17/h1-5,7-8,12H,6,9,19H2
InChIKeyRXOYINGUIYFGQY-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.42
Rot. Bonds4

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

3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine (PubChem CID 79443118) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
PubChem CID79443118
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c16-13-3-1-2-10(7-13)12(9-19)6-11-4-5-14(18)8-15(11)17/h1-5,7-8,12H,6,9,19H2
InChIKeyRXOYINGUIYFGQY-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-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440147
2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
CID 79442407
3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
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
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
[1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105194827

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine (CID 79443118) is 3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine is NCC(Cc1ccc(F)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine?
The InChIKey is RXOYINGUIYFGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c16-13-3-1-2-10(7-13)12(9-19)6-11-4-5-14(18)8-15(11)17/h1-5,7-8,12H,6,9,19H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine?
3-(2-chloro-4-fluorophenyl)-2-(3-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-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 79443118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).