1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine

C17H29NO2 — CID 103283395

IUPAC1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine
SMILESCCCC(C)COCc1cc(C(C)N)ccc1OCC
InChIInChI=1S/C17H29NO2/c1-5-7-13(3)11-19-12-16-10-15(14(4)18)8-9-17(16)20-6-2/h8-10,13-14H,5-7,11-12,18H2,1-4H3
InChIKeyXOPNNMPBMAMDGH-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.06
Rot. Bonds9

About 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine

1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine (PubChem CID 103283395) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine
PubChem CID103283395
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine
SMILESCCCC(C)COCc1cc(C(C)N)ccc1OCC
InChIInChI=1S/C17H29NO2/c1-5-7-13(3)11-19-12-16-10-15(14(4)18)8-9-17(16)20-6-2/h8-10,13-14H,5-7,11-12,18H2,1-4H3
InChIKeyXOPNNMPBMAMDGH-UHFFFAOYSA-N
XLogP4.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]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

1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
CID 60861720
1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
CID 106200766
1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
CID 113386781
1-[4-ethoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764224
1-[4-ethoxy-3-(2-methylbutylsulfonylmethyl)phenyl]ethanamine
CID 107759746
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 81058535
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-(butylsulfinylmethyl)-4-ethoxyphenyl]ethanamine
CID 64656167
1-[4-ethoxy-3-(pentylsulfonylmethyl)phenyl]ethanamine
CID 107758628
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine?
The IUPAC name of 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine (CID 103283395) is 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine is CCCC(C)COCc1cc(C(C)N)ccc1OCC.
What is the InChIKey of 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine?
The InChIKey is XOPNNMPBMAMDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-7-13(3)11-19-12-16-10-15(14(4)18)8-9-17(16)20-6-2/h8-10,13-14H,5-7,11-12,18H2,1-4H3.
What are the key properties of 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine?
1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 103283395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).