1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine

C17H21N — CID 43480217

IUPAC1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H21N/c1-12-6-5-7-15(10-12)17(18-4)16-9-8-13(2)14(3)11-16/h5-11,17-18H,1-4H3
InChIKeyDZQPSCHHNQLXNA-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.92
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine

1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 43480217) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID43480217
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H21N/c1-12-6-5-7-15(10-12)17(18-4)16-9-8-13(2)14(3)11-16/h5-11,17-18H,1-4H3
InChIKeyDZQPSCHHNQLXNA-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 116952153
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
N-methyl-1-(3-methylphenyl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482466
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine (CID 43480217) is 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1cccc(C)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is DZQPSCHHNQLXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-6-5-7-15(10-12)17(18-4)16-9-8-13(2)14(3)11-16/h5-11,17-18H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 43480217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).