1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine

C17H20ClN — CID 105410126

IUPAC1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN/c1-11-5-6-14(10-19-4)9-15(11)16-7-12(2)13(3)8-17(16)18/h5-9,19H,10H2,1-4H3
InChIKeySDZRGJBFDGFPMH-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.65
Rot. Bonds3

About 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine

1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine (PubChem CID 105410126) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
PubChem CID105410126
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN/c1-11-5-6-14(10-19-4)9-15(11)16-7-12(2)13(3)8-17(16)18/h5-9,19H,10H2,1-4H3
InChIKeySDZRGJBFDGFPMH-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 115484339
1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine
CID 105410094
1-[3-(4-chloro-3-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105409070
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
1-[3-(2-methoxy-3,4-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 103434169
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
N-[[3-(2-chloro-4,5-difluorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 107476925
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985369

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine (CID 105410126) is 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine is CNCc1ccc(C)c(-c2cc(C)c(C)cc2Cl)c1.
What is the InChIKey of 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is SDZRGJBFDGFPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-5-6-14(10-19-4)9-15(11)16-7-12(2)13(3)8-17(16)18/h5-9,19H,10H2,1-4H3.
What are the key properties of 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine?
1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105410126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).