3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine

C17H29NO3 — CID 65039966

IUPAC3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C17H29NO3/c1-7-17(8-2,9-3)18-12-13-10-15(20-5)16(21-6)11-14(13)19-4/h10-11,18H,7-9,12H2,1-6H3
InChIKeyLNFKCFJTYXASKT-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.77
Rot. Bonds9

About 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine

3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine (PubChem CID 65039966) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine
PubChem CID65039966
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C17H29NO3/c1-7-17(8-2,9-3)18-12-13-10-15(20-5)16(21-6)11-14(13)19-4/h10-11,18H,7-9,12H2,1-6H3
InChIKeyLNFKCFJTYXASKT-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 47084874
N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 82719803
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N'-hydroxy-3-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]-4-methoxybenzenecarboximidamide
CID 107865898
N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
CID 62198160
3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
N-[(2,4,5-trimethoxyphenyl)methyl]heptan-2-amine
CID 43398782
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]but-2-en-1-amine
CID 103605632
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine (CID 65039966) is 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine?
The InChIKey is LNFKCFJTYXASKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-7-17(8-2,9-3)18-12-13-10-15(20-5)16(21-6)11-14(13)19-4/h10-11,18H,7-9,12H2,1-6H3.
What are the key properties of 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine?
3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine has a molecular weight of 295.42 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 65039966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).