1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C18H29NO — CID 105018462

IUPAC1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cccc(CC)c1
InChIInChI=1S/C18H29NO/c1-3-12-19-18(11-10-17-9-6-13-20-17)16-8-5-7-15(4-2)14-16/h5,7-8,14,17-19H,3-4,6,9-13H2,1-2H3
InChIKeyRJXKRRJSVUSEMD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds8

About 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 105018462) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID105018462
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cccc(CC)c1
InChIInChI=1S/C18H29NO/c1-3-12-19-18(11-10-17-9-6-13-20-17)16-8-5-7-15(4-2)14-16/h5,7-8,14,17-19H,3-4,6,9-13H2,1-2H3
InChIKeyRJXKRRJSVUSEMD-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-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

N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105050527
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343
1-(3-bromo-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156181

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 105018462) is 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1cccc(CC)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is RJXKRRJSVUSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-12-19-18(11-10-17-9-6-13-20-17)16-8-5-7-15(4-2)14-16/h5,7-8,14,17-19H,3-4,6,9-13H2,1-2H3.
What are the key properties of 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105018462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).