2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine

C15H14Cl2FN — CID 103043039

IUPAC2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-9-6-11(3-4-12(9)16)15(19)8-10-2-5-14(18)13(17)7-10/h2-7,15H,8,19H2,1H3
InChIKeyOMXGNOTYVGRHOQ-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.68
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine

2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine (PubChem CID 103043039) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
PubChem CID103043039
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-9-6-11(3-4-12(9)16)15(19)8-10-2-5-14(18)13(17)7-10/h2-7,15H,8,19H2,1H3
InChIKeyOMXGNOTYVGRHOQ-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
2-(4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299082
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine (CID 103043039) is 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine is Cc1cc(C(N)Cc2ccc(F)c(Cl)c2)ccc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine?
The InChIKey is OMXGNOTYVGRHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-9-6-11(3-4-12(9)16)15(19)8-10-2-5-14(18)13(17)7-10/h2-7,15H,8,19H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine?
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine is sourced from PubChem (CID 103043039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).