1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine

C17H21NO2 — CID 61026051

IUPAC1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H21NO2/c1-12(18-2)13-6-5-7-14(10-13)15-8-9-16(19-3)17(11-15)20-4/h5-12,18H,1-4H3
InChIKeyLVMAXPOWOFEBGR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.65
Rot. Bonds5

About 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine

1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine (PubChem CID 61026051) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
PubChem CID61026051
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H21NO2/c1-12(18-2)13-6-5-7-14(10-13)15-8-9-16(19-3)17(11-15)20-4/h5-12,18H,1-4H3
InChIKeyLVMAXPOWOFEBGR-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
CID 82542335
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
CID 82540557
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]ethanamine
CID 63428245
N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
CID 63157736
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
1-[3-(1,3-benzodioxol-5-yl)phenyl]-N-methylethanamine
CID 82540311
4-(3-bromophenyl)-1,2-dimethoxybenzene
CID 83666367
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine
CID 61033554
1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine
CID 82539990

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine (CID 61026051) is 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine is CNC(C)c1cccc(-c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine?
The InChIKey is LVMAXPOWOFEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(18-2)13-6-5-7-14(10-13)15-8-9-16(19-3)17(11-15)20-4/h5-12,18H,1-4H3.
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine?
1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 61026051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).