2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine

C16H16Cl2FN — CID 106858929

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccc(C)cc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-10-6-7-12(14(18)8-10)15(20-2)9-11-4-3-5-13(17)16(11)19/h3-8,15,20H,9H2,1-2H3
InChIKeySEZLFAWPTCZJSM-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.94
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine

2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine (PubChem CID 106858929) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
PubChem CID106858929
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccc(C)cc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-10-6-7-12(14(18)8-10)15(20-2)9-11-4-3-5-13(17)16(11)19/h3-8,15,20H,9H2,1-2H3
InChIKeySEZLFAWPTCZJSM-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 102866361
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 102857811
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
[1-(2-bromo-4-methylphenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868674
2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 102866450
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
CID 82806067
1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857803

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine (CID 106858929) is 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1F)c1ccc(C)cc1Cl.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine?
The InChIKey is SEZLFAWPTCZJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-10-6-7-12(14(18)8-10)15(20-2)9-11-4-3-5-13(17)16(11)19/h3-8,15,20H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine has a molecular weight of 312.22 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 106858929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).