1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

C15H14ClF2N — CID 107130127

IUPAC1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1c(F)cccc1Cl
InChIInChI=1S/C15H14ClF2N/c1-9-6-7-10(8-13(9)18)15(19-2)14-11(16)4-3-5-12(14)17/h3-8,15,19H,1-2H3
InChIKeyNKTCOPOGVGHXQP-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.24
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107130127) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID107130127
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1c(F)cccc1Cl
InChIInChI=1S/C15H14ClF2N/c1-9-6-7-10(8-13(9)18)15(19-2)14-11(16)4-3-5-12(14)17/h3-8,15,19H,1-2H3
InChIKeyNKTCOPOGVGHXQP-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635
1-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107128750
1-(2-chloro-6-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724607
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483251
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
1-(2-chloro-6-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482973
1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 103215327
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
[(2-chloro-6-fluorophenyl)-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 114275505
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 107130127) is 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is NKTCOPOGVGHXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-6-7-10(8-13(9)18)15(19-2)14-11(16)4-3-5-12(14)17/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107130127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).