1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine

C17H29NO2 — CID 105140802

IUPAC1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOCCC)c1ccc(OCC)cc1
InChIInChI=1S/C17H29NO2/c1-4-12-18-17(11-14-19-13-5-2)15-7-9-16(10-8-15)20-6-3/h7-10,17-18H,4-6,11-14H2,1-3H3
InChIKeyAYHGHQPPFGPYDV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

About 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine

1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine (PubChem CID 105140802) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
PubChem CID105140802
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOCCC)c1ccc(OCC)cc1
InChIInChI=1S/C17H29NO2/c1-4-12-18-17(11-14-19-13-5-2)15-7-9-16(10-8-15)20-6-3/h7-10,17-18H,4-6,11-14H2,1-3H3
InChIKeyAYHGHQPPFGPYDV-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102981170
1-(3-chloro-4-methylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 107561908
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine (CID 105140802) is 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine is CCCNC(CCOCCC)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine?
The InChIKey is AYHGHQPPFGPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-12-18-17(11-14-19-13-5-2)15-7-9-16(10-8-15)20-6-3/h7-10,17-18H,4-6,11-14H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine?
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine is sourced from PubChem (CID 105140802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).