1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine

C17H21NO — CID 134134210

IUPAC1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccccc1-c1cc(CN(C)C)ccc1C
InChIInChI=1S/C17H21NO/c1-13-9-10-14(12-18(2)3)11-16(13)15-7-5-6-8-17(15)19-4/h5-11H,12H2,1-4H3
InChIKeyHHHMEPZPOBJCFY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.73
Rot. Bonds4

About 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine

1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine (PubChem CID 134134210) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine
PubChem CID134134210
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccccc1-c1cc(CN(C)C)ccc1C
InChIInChI=1S/C17H21NO/c1-13-9-10-14(12-18(2)3)11-16(13)15-7-5-6-8-17(15)19-4/h5-11H,12H2,1-4H3
InChIKeyHHHMEPZPOBJCFY-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine (CID 134134210) is 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine is COc1ccccc1-c1cc(CN(C)C)ccc1C.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine?
The InChIKey is HHHMEPZPOBJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-9-10-14(12-18(2)3)11-16(13)15-7-5-6-8-17(15)19-4/h5-11H,12H2,1-4H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine?
1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-4-methylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 134134210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).