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

C17H29NO3 — CID 116724757

IUPAC1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCCNC(c1ccc(OC)c(OC)c1)C(OC)C(C)(C)C
InChIInChI=1S/C17H29NO3/c1-8-18-15(16(21-7)17(2,3)4)12-9-10-13(19-5)14(11-12)20-6/h9-11,15-16,18H,8H2,1-7H3
InChIKeyFTIIFEXMUCQNMN-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.42
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 116724757) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID116724757
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCCNC(c1ccc(OC)c(OC)c1)C(OC)C(C)(C)C
InChIInChI=1S/C17H29NO3/c1-8-18-15(16(21-7)17(2,3)4)12-9-10-13(19-5)14(11-12)20-6/h9-11,15-16,18H,8H2,1-7H3
InChIKeyFTIIFEXMUCQNMN-UHFFFAOYSA-N
XLogP3.42
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720295
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116724693
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725272
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
2-[(3,4-dimethoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960515
2-butylsulfanyl-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 64609867

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine (CID 116724757) is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine is CCNC(c1ccc(OC)c(OC)c1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is FTIIFEXMUCQNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-8-18-15(16(21-7)17(2,3)4)12-9-10-13(19-5)14(11-12)20-6/h9-11,15-16,18H,8H2,1-7H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.42, 7 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-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116724757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).