N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine

C16H27NO3 — CID 115780806

IUPACN-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine
SMILESCCNC(C)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C16H27NO3/c1-6-17-12(5)13-10-14(18-7-2)16(20-9-4)15(11-13)19-8-3/h10-12,17H,6-9H2,1-5H3
InChIKeyQMVHPJBPCTUMKE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.55
Rot. Bonds9

About N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine

N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine (PubChem CID 115780806) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine
PubChem CID115780806
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine
SMILESCCNC(C)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C16H27NO3/c1-6-17-12(5)13-10-14(18-7-2)16(20-9-4)15(11-13)19-8-3/h10-12,17H,6-9H2,1-5H3
InChIKeyQMVHPJBPCTUMKE-UHFFFAOYSA-N
XLogP3.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine 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

2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
1-[3-(butan-2-ylsulfanylmethyl)-4-ethoxyphenyl]-N-ethylethanamine
CID 64612587
1-[4-ethoxy-3-(pentan-2-yloxymethyl)phenyl]-N-ethylethanamine
CID 102981238
1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
CID 62801214
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
(2R)-2-N-[(3,4,5-triethoxyphenyl)methyl]propane-1,2-diamine
CID 104868075
N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine
CID 105005592
1-(3,4,5-triethoxyphenyl)pent-3-yn-1-amine
CID 115819903
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
1-[3-(butylsulfinylmethyl)-4-ethoxyphenyl]-N-ethylethanamine
CID 64653695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine (CID 115780806) is N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine is CCNC(C)c1cc(OCC)c(OCC)c(OCC)c1.
What is the InChIKey of N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine?
The InChIKey is QMVHPJBPCTUMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-17-12(5)13-10-14(18-7-2)16(20-9-4)15(11-13)19-8-3/h10-12,17H,6-9H2,1-5H3.
What are the key properties of N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine?
N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine is sourced from PubChem (CID 115780806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).