1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine

C15H13Cl2F2N — CID 82814658

IUPAC1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H13Cl2F2N/c1-8-3-6-12(18)13(14(8)19)15(20-2)9-4-5-10(16)11(17)7-9/h3-7,15,20H,1-2H3
InChIKeyIEHGOUITSXWSKH-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.89
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine

1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 82814658) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID82814658
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H13Cl2F2N/c1-8-3-6-12(18)13(14(8)19)15(20-2)9-4-5-10(16)11(17)7-9/h3-7,15,20H,1-2H3
InChIKeyIEHGOUITSXWSKH-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 105218082
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
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-(2-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82823128
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607978
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine (CID 82814658) is 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Cl)c1)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is IEHGOUITSXWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c1-8-3-6-12(18)13(14(8)19)15(20-2)9-4-5-10(16)11(17)7-9/h3-7,15,20H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 316.18 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 82814658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).