1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine

C15H15ClFN — CID 115502878

IUPAC1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1-c1cccc(F)c1C
InChIInChI=1S/C15H15ClFN/c1-10-13(4-3-5-15(10)17)14-8-12(16)7-6-11(14)9-18-2/h3-8,18H,9H2,1-2H3
InChIKeyZOEWSZVEYCZWHO-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.17
Rot. Bonds3

About 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine

1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine (PubChem CID 115502878) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
PubChem CID115502878
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1-c1cccc(F)c1C
InChIInChI=1S/C15H15ClFN/c1-10-13(4-3-5-15(10)17)14-8-12(16)7-6-11(14)9-18-2/h3-8,18H,9H2,1-2H3
InChIKeyZOEWSZVEYCZWHO-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61227637
1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine
CID 103341628
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
1-[2-(2,3-dimethylphenyl)phenyl]-N-methylmethanamine
CID 62549368
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911260
N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105349880
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952543

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine (CID 115502878) is 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1-c1cccc(F)c1C.
What is the InChIKey of 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is ZOEWSZVEYCZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-13(4-3-5-15(10)17)14-8-12(16)7-6-11(14)9-18-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 263.74 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 115502878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).