1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine

C15H13Cl3FN — CID 107884616

IUPAC1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Cl)c(F)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl3FN/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-14(18)15(19)7-9/h1-5,7,10H,6,8,20H2
InChIKeyGRWRECBERNSSGL-UHFFFAOYSA-N
MW332.63 g/mol
LogP4.90
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine

1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine (PubChem CID 107884616) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
PubChem CID107884616
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Cl)c(F)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl3FN/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-14(18)15(19)7-9/h1-5,7,10H,6,8,20H2
InChIKeyGRWRECBERNSSGL-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 107884640
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 65321380
[2-(4-chloro-3-fluorophenyl)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 107895613
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine (CID 107884616) is 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine is NC(Cc1ccc(Cl)c(F)c1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine?
The InChIKey is GRWRECBERNSSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-14(18)15(19)7-9/h1-5,7,10H,6,8,20H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine?
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine has a molecular weight of 332.63 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 107884616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).