1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

C17H19ClFN — CID 115483965

IUPAC1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)cc1Cl)c1cccc(C)c1F
InChIInChI=1S/C17H19ClFN/c1-10-6-5-7-13(16(10)19)17(20-4)14-8-11(2)12(3)9-15(14)18/h5-9,17,20H,1-4H3
InChIKeySHOFLKQGGMAXOV-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.71
Rot. Bonds3

About 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 115483965) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID115483965
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)cc1Cl)c1cccc(C)c1F
InChIInChI=1S/C17H19ClFN/c1-10-6-5-7-13(16(10)19)17(20-4)14-8-11(2)12(3)9-15(14)18/h5-9,17,20H,1-4H3
InChIKeySHOFLKQGGMAXOV-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
1-(3-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 81266470
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
1-(2-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 62946377
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81477388
1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 115483803
1-(2,5-dibromo-4-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477562
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (CID 115483965) is 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(C)cc1Cl)c1cccc(C)c1F.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is SHOFLKQGGMAXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-10-6-5-7-13(16(10)19)17(20-4)14-8-11(2)12(3)9-15(14)18/h5-9,17,20H,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115483965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).