1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C17H29NO3 — CID 103032151

IUPAC1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1c(OC)cccc1OC
InChIInChI=1S/C17H29NO3/c1-7-18-13(11-12-17(2,3)21-6)16-14(19-4)9-8-10-15(16)20-5/h8-10,13,18H,7,11-12H2,1-6H3
InChIKeyIGBCBJXSOCGPJB-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.56
Rot. Bonds9

About 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103032151) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103032151
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1c(OC)cccc1OC
InChIInChI=1S/C17H29NO3/c1-7-18-13(11-12-17(2,3)21-6)16-14(19-4)9-8-10-15(16)20-5/h8-10,13,18H,7,11-12H2,1-6H3
InChIKeyIGBCBJXSOCGPJB-UHFFFAOYSA-N
XLogP3.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028738
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029479
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031302
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 106849061
N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
CID 103031663
1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031752

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103032151) is 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is IGBCBJXSOCGPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-7-18-13(11-12-17(2,3)21-6)16-14(19-4)9-8-10-15(16)20-5/h8-10,13,18H,7,11-12H2,1-6H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103032151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).