1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine

C15H13ClF3N — CID 107998804

IUPAC1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H13ClF3N/c1-8-5-10(13(18)7-12(8)17)15(20-2)9-3-4-11(16)14(19)6-9/h3-7,15,20H,1-2H3
InChIKeyMGNZMNFKNLRZIW-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.37
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine

1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 107998804) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID107998804
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H13ClF3N/c1-8-5-10(13(18)7-12(8)17)15(20-2)9-3-4-11(16)14(19)6-9/h3-7,15,20H,1-2H3
InChIKeyMGNZMNFKNLRZIW-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302453
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 107992337
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 79725625
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
1-(2-chloro-6-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724607
1-(2,3-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724980
1-(3-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 81266470

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine (CID 107998804) is 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(F)c1)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is MGNZMNFKNLRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-8-5-10(13(18)7-12(8)17)15(20-2)9-3-4-11(16)14(19)6-9/h3-7,15,20H,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine?
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107998804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).