1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine

C12H19NO2 — CID 142063671

IUPAC1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCCOc1cc(CN(C)C)ccc1OC
InChIInChI=1S/C12H19NO2/c1-5-15-12-8-10(9-13(2)3)6-7-11(12)14-4/h6-8H,5,9H2,1-4H3
InChIKeyWUCFTKQRAGHZFU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.16
Rot. Bonds5

About 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine

1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 142063671) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
PubChem CID142063671
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCCOc1cc(CN(C)C)ccc1OC
InChIInChI=1S/C12H19NO2/c1-5-15-12-8-10(9-13(2)3)6-7-11(12)14-4/h6-8H,5,9H2,1-4H3
InChIKeyWUCFTKQRAGHZFU-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 110011425
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39423555
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
4-(2-chlorobutyl)-2-ethoxy-1-methoxybenzene
CID 82161430
2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334
1,1,2,2-tetradeuterio-2-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 118023605

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine (CID 142063671) is 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine is CCOc1cc(CN(C)C)ccc1OC.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is WUCFTKQRAGHZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-15-12-8-10(9-13(2)3)6-7-11(12)14-4/h6-8H,5,9H2,1-4H3.
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine?
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 142063671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).