4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine

C18H31NO2 — CID 64718995

IUPAC4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C18H31NO2/c1-6-11-19-15(5)12-14(4)16-9-10-17(20-7-2)18(13-16)21-8-3/h9-10,13-15,19H,6-8,11-12H2,1-5H3
InChIKeyVWUZEEYWYBKLGS-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.37
Rot. Bonds10

About 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine

4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine (PubChem CID 64718995) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
PubChem CID64718995
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C18H31NO2/c1-6-11-19-15(5)12-14(4)16-9-10-17(20-7-2)18(13-16)21-8-3/h9-10,13-15,19H,6-8,11-12H2,1-5H3
InChIKeyVWUZEEYWYBKLGS-UHFFFAOYSA-N
XLogP4.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine (CID 64718995) is 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine?
The InChIKey is VWUZEEYWYBKLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-11-19-15(5)12-14(4)16-9-10-17(20-7-2)18(13-16)21-8-3/h9-10,13-15,19H,6-8,11-12H2,1-5H3.
What are the key properties of 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine?
4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64718995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).