1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine

C15H14ClF2N — CID 106857516

IUPAC1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1F)c1ccc(C)cc1Cl
InChIInChI=1S/C15H14ClF2N/c1-9-3-5-11(13(16)7-9)15(19-2)12-6-4-10(17)8-14(12)18/h3-8,15,19H,1-2H3
InChIKeySIFLQPLVSPJWNH-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.24
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine

1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine (PubChem CID 106857516) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
PubChem CID106857516
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1F)c1ccc(C)cc1Cl
InChIInChI=1S/C15H14ClF2N/c1-9-3-5-11(13(16)7-9)15(19-2)12-6-4-10(17)8-14(12)18/h3-8,15,19H,1-2H3
InChIKeySIFLQPLVSPJWNH-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-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2-chloro-4,5-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 107476209
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 106857038
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(2,4-dibromophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107945698
1-(2-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 62946377

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine (CID 106857516) is 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1F)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is SIFLQPLVSPJWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-3-5-11(13(16)7-9)15(19-2)12-6-4-10(17)8-14(12)18/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-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-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 106857516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).