1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine

C16H27NO3 — CID 116720295

IUPAC1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)c(OC)c1)C(OC)C(C)C
InChIInChI=1S/C16H27NO3/c1-7-17-15(16(20-6)11(2)3)12-8-9-13(18-4)14(10-12)19-5/h8-11,15-17H,7H2,1-6H3
InChIKeySMGYFIWLIPGKLO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.03
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine

1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine (PubChem CID 116720295) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
PubChem CID116720295
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)c(OC)c1)C(OC)C(C)C
InChIInChI=1S/C16H27NO3/c1-7-17-15(16(20-6)11(2)3)12-8-9-13(18-4)14(10-12)19-5/h8-11,15-17H,7H2,1-6H3
InChIKeySMGYFIWLIPGKLO-UHFFFAOYSA-N
XLogP3.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724757
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 116720426
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116720357
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine (CID 116720295) is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine is CCNC(c1ccc(OC)c(OC)c1)C(OC)C(C)C.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine?
The InChIKey is SMGYFIWLIPGKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-17-15(16(20-6)11(2)3)12-8-9-13(18-4)14(10-12)19-5/h8-11,15-17H,7H2,1-6H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine?
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 116720295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).