1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

C16H17ClFN — CID 55182168

IUPAC1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(C)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-10-4-5-12(8-11(10)2)16(19-3)13-6-7-15(18)14(17)9-13/h4-9,16,19H,1-3H3
InChIKeyNVZXJPOIEHMLFA-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.40
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 55182168) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID55182168
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(C)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-10-4-5-12(8-11(10)2)16(19-3)13-6-7-15(18)14(17)9-13/h4-9,16,19H,1-3H3
InChIKeyNVZXJPOIEHMLFA-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
1-(3-chloro-4-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 63086652
1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 82883588
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 113297209
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 63088821

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (CID 55182168) is 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(C)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is NVZXJPOIEHMLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10-4-5-12(8-11(10)2)16(19-3)13-6-7-15(18)14(17)9-13/h4-9,16,19H,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 55182168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).