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

C17H27NO2 — CID 65167020

IUPAC1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-11-18-17(10-9-15-8-5-12-20-15)14-6-4-7-16(13-14)19-2/h4,6-7,13,15,17-18H,3,5,8-12H2,1-2H3
InChIKeyWJXBLDLJVKRURT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.70
Rot. Bonds8

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

1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 65167020) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID65167020
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-11-18-17(10-9-15-8-5-12-20-15)14-6-4-7-16(13-14)19-2/h4,6-7,13,15,17-18H,3,5,8-12H2,1-2H3
InChIKeyWJXBLDLJVKRURT-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156287
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-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156181
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 65167020) is 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is WJXBLDLJVKRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-11-18-17(10-9-15-8-5-12-20-15)14-6-4-7-16(13-14)19-2/h4,6-7,13,15,17-18H,3,5,8-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65167020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).