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

C16H16ClF2N — CID 107998783

IUPAC1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)c(C)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClF2N/c1-9-6-12(7-10(2)15(9)19)16(20-3)11-4-5-13(17)14(18)8-11/h4-8,16,20H,1-3H3
InChIKeyPPYPCXYPUFJSFI-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.54
Rot. Bonds3

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

1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 107998783) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID107998783
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)c(C)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClF2N/c1-9-6-12(7-10(2)15(9)19)16(20-3)11-4-5-13(17)14(18)8-11/h4-8,16,20H,1-3H3
InChIKeyPPYPCXYPUFJSFI-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.54
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-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998784
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 107998804
1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299004
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
CID 114249068
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81472374
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine (CID 107998783) is 1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(F)c(C)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is PPYPCXYPUFJSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-9-6-12(7-10(2)15(9)19)16(20-3)11-4-5-13(17)14(18)8-11/h4-8,16,20H,1-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.54, 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-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107998783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).