4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine

C18H31NO2 — CID 116717162

IUPAC4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccc(OC)cc1)C(CC)OCC
InChIInChI=1S/C18H31NO2/c1-5-14-19-17(18(6-2)21-7-3)13-10-15-8-11-16(20-4)12-9-15/h8-9,11-12,17-19H,5-7,10,13-14H2,1-4H3
InChIKeyCUJURVYLANPYAA-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.81
Rot. Bonds11

About 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine

4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine (PubChem CID 116717162) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
PubChem CID116717162
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccc(OC)cc1)C(CC)OCC
InChIInChI=1S/C18H31NO2/c1-5-14-19-17(18(6-2)21-7-3)13-10-15-8-11-16(20-4)12-9-15/h8-9,11-12,17-19H,5-7,10,13-14H2,1-4H3
InChIKeyCUJURVYLANPYAA-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine 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

4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
CID 115864749
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine?
The IUPAC name of 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine (CID 116717162) is 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine is CCCNC(CCc1ccc(OC)cc1)C(CC)OCC.
What is the InChIKey of 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine?
The InChIKey is CUJURVYLANPYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-14-19-17(18(6-2)21-7-3)13-10-15-8-11-16(20-4)12-9-15/h8-9,11-12,17-19H,5-7,10,13-14H2,1-4H3.
What are the key properties of 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine?
4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine has a molecular weight of 293.45 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 116717162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).