3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine

C17H29NO3 — CID 63842268

IUPAC3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C17H29NO3/c1-7-13(8-2)12(3)18-11-14-9-10-15(19-4)17(21-6)16(14)20-5/h9-10,12-13,18H,7-8,11H2,1-6H3
InChIKeyHPLJOVHVVMMJNM-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.63
Rot. Bonds9

About 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine

3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine (PubChem CID 63842268) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
PubChem CID63842268
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C17H29NO3/c1-7-13(8-2)12(3)18-11-14-9-10-15(19-4)17(21-6)16(14)20-5/h9-10,12-13,18H,7-8,11H2,1-6H3
InChIKeyHPLJOVHVVMMJNM-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 79254161
1-ethylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-2-amine
CID 115660743
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid
CID 65054790
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
methyl 2-[(2,3-dimethoxyphenyl)methylamino]-3-methylpentanoate
CID 43732350
(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 94114613

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine (CID 63842268) is 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine is CCC(CC)C(C)NCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine?
The InChIKey is HPLJOVHVVMMJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-7-13(8-2)12(3)18-11-14-9-10-15(19-4)17(21-6)16(14)20-5/h9-10,12-13,18H,7-8,11H2,1-6H3.
What are the key properties of 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine?
3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 63842268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).