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

C16H16Cl2FN — CID 65299004

IUPAC1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H16Cl2FN/c1-9-4-11(5-10(2)15(9)19)16(20-3)12-6-13(17)8-14(18)7-12/h4-8,16,20H,1-3H3
InChIKeyFLXNQGINJITVPG-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.06
Rot. Bonds3

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

1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 65299004) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID65299004
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H16Cl2FN/c1-9-4-11(5-10(2)15(9)19)16(20-3)12-6-13(17)8-14(18)7-12/h4-8,16,20H,1-3H3
InChIKeyFLXNQGINJITVPG-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81323793
N-[(3,5-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299159
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998784
1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130082
1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81472374
1-(5-bromothiophen-3-yl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107961080
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3,5-dichlorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859907
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 65299098
5-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 81324231
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine (CID 65299004) is 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(Cl)cc(Cl)c1)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is FLXNQGINJITVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-9-4-11(5-10(2)15(9)19)16(20-3)12-6-13(17)8-14(18)7-12/h4-8,16,20H,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 65299004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).