2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine

C12H19NO3 — CID 79492759

IUPAC2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(c1ccc(OC)cc1)C(OC)OC
InChIInChI=1S/C12H19NO3/c1-13-11(12(15-3)16-4)9-5-7-10(14-2)8-6-9/h5-8,11-13H,1-4H3
InChIKeySTLBKOMZXIQPPH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.57
Rot. Bonds6

About 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine

2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 79492759) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID79492759
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(c1ccc(OC)cc1)C(OC)OC
InChIInChI=1S/C12H19NO3/c1-13-11(12(15-3)16-4)9-5-7-10(14-2)8-6-9/h5-8,11-13H,1-4H3
InChIKeySTLBKOMZXIQPPH-UHFFFAOYSA-N
XLogP1.57
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623
1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine
CID 107763976
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
1-methoxy-1-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 91693922
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 64626669
1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
CID 64620958
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethoxy-N-methylethanamine
CID 107289120
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
2-methoxy-N-methyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 79616330
2,2-dimethoxy-N-methyl-1-(3-methylphenyl)ethanamine
CID 79493345

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine (CID 79492759) is 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine is CNC(c1ccc(OC)cc1)C(OC)OC.
What is the InChIKey of 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is STLBKOMZXIQPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13-11(12(15-3)16-4)9-5-7-10(14-2)8-6-9/h5-8,11-13H,1-4H3.
What are the key properties of 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine?
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 79492759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).