1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

C16H16ClF2N — CID 107103195

IUPAC1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cccc(Cl)c1C
InChIInChI=1S/C16H16ClF2N/c1-10-14(4-3-5-15(10)17)16(20-2)8-11-6-12(18)9-13(19)7-11/h3-7,9,16,20H,8H2,1-2H3
InChIKeyWIIPKJLVKCQNCG-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.43
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (PubChem CID 107103195) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
PubChem CID107103195
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cccc(Cl)c1C
InChIInChI=1S/C16H16ClF2N/c1-10-14(4-3-5-15(10)17)16(20-2)8-11-6-12(18)9-13(19)7-11/h3-7,9,16,20H,8H2,1-2H3
InChIKeyWIIPKJLVKCQNCG-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406219
1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 107102055
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107097065
1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107102959
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
2-(2,6-dichlorophenyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 63417365
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043118
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (CID 107103195) is 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The InChIKey is WIIPKJLVKCQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10-14(4-3-5-15(10)17)16(20-2)8-11-6-12(18)9-13(19)7-11/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107103195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).