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

C15H14Cl2FN — CID 106865980

IUPAC1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-2-3-10(13(16)6-9)7-15(19)12-5-4-11(18)8-14(12)17/h2-6,8,15H,7,19H2,1H3
InChIKeyDIHITXLCSASHBG-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.68
Rot. Bonds3

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

1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine (PubChem CID 106865980) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
PubChem CID106865980
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-2-3-10(13(16)6-9)7-15(19)12-5-4-11(18)8-14(12)17/h2-6,8,15H,7,19H2,1H3
InChIKeyDIHITXLCSASHBG-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-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965
2-(2-chloro-4-methylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 106867073
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine (CID 106865980) is 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine is Cc1ccc(CC(N)c2ccc(F)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The InChIKey is DIHITXLCSASHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-9-2-3-10(13(16)6-9)7-15(19)12-5-4-11(18)8-14(12)17/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-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 1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine is sourced from PubChem (CID 106865980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).