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

C16H16Cl2FN — CID 105032442

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1cccc(C)c1Cl
InChIInChI=1S/C16H16Cl2FN/c1-10-5-3-7-12(15(10)17)14(20-2)9-11-6-4-8-13(19)16(11)18/h3-8,14,20H,9H2,1-2H3
InChIKeyFUKJMFZKXLWBAG-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.94
Rot. Bonds4

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

2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine (PubChem CID 105032442) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
PubChem CID105032442
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1cccc(C)c1Cl
InChIInChI=1S/C16H16Cl2FN/c1-10-5-3-7-12(15(10)17)14(20-2)9-11-6-4-8-13(19)16(11)18/h3-8,14,20H,9H2,1-2H3
InChIKeyFUKJMFZKXLWBAG-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

1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
1-(2-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809821
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105178864
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 114894692

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine (CID 105032442) is 2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1Cl)c1cccc(C)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine?
The InChIKey is FUKJMFZKXLWBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-10-5-3-7-12(15(10)17)14(20-2)9-11-6-4-8-13(19)16(11)18/h3-8,14,20H,9H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine?
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-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-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105032442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).