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

C16H17ClFN — CID 107130082

IUPAC1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H17ClFN/c1-10-6-13(8-14(17)7-10)16(19-3)12-5-4-11(2)15(18)9-12/h4-9,16,19H,1-3H3
InChIKeyTVSNQHWZDLIMOS-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.40
Rot. Bonds3

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

1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107130082) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID107130082
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H17ClFN/c1-10-6-13(8-14(17)7-10)16(19-3)12-5-4-11(2)15(18)9-12/h4-9,16,19H,1-3H3
InChIKeyTVSNQHWZDLIMOS-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-5-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81323793
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 81323089
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130464
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796591
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 106944481

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 107130082) is 1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(Cl)c1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is TVSNQHWZDLIMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10-6-13(8-14(17)7-10)16(19-3)12-5-4-11(2)15(18)9-12/h4-9,16,19H,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-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-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107130082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).