1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine

C17H21NO2 — CID 162400127

IUPAC1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(CN(C)C)c(-c2ccccc2)cc1OC
InChIInChI=1S/C17H21NO2/c1-18(2)12-14-10-16(19-3)17(20-4)11-15(14)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKeyGSUMNWCHUPLJFM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.43
Rot. Bonds5

About 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine

1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine (PubChem CID 162400127) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
PubChem CID162400127
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(CN(C)C)c(-c2ccccc2)cc1OC
InChIInChI=1S/C17H21NO2/c1-18(2)12-14-10-16(19-3)17(20-4)11-15(14)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKeyGSUMNWCHUPLJFM-UHFFFAOYSA-N
XLogP3.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(dimethylamino)methyl]-4-phenyl-2-(trifluoromethoxy)aniline
CID 141103257
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
CID 119110830
2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
CID 119111857
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781947
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123092
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine (CID 162400127) is 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine is COc1cc(CN(C)C)c(-c2ccccc2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine?
The InChIKey is GSUMNWCHUPLJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(2)12-14-10-16(19-3)17(20-4)11-15(14)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine?
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 162400127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).