3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine

C16H25NO2 — CID 105035854

IUPAC3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccccc1C(N)CCC1CCCO1
InChIInChI=1S/C16H25NO2/c1-2-11-19-16-8-4-3-7-14(16)15(17)10-9-13-6-5-12-18-13/h3-4,7-8,13,15H,2,5-6,9-12,17H2,1H3
InChIKeyLSVXJNGINAYWMM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds7

About 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine

3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine (PubChem CID 105035854) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
PubChem CID105035854
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccccc1C(N)CCC1CCCO1
InChIInChI=1S/C16H25NO2/c1-2-11-19-16-8-4-3-7-14(16)15(17)10-9-13-6-5-12-18-13/h3-4,7-8,13,15H,2,5-6,9-12,17H2,1H3
InChIKeyLSVXJNGINAYWMM-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
[2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198546
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
CID 104659878
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104789721
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine
CID 105035232
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine (CID 105035854) is 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine is CCCOc1ccccc1C(N)CCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine?
The InChIKey is LSVXJNGINAYWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-11-19-16-8-4-3-7-14(16)15(17)10-9-13-6-5-12-18-13/h3-4,7-8,13,15H,2,5-6,9-12,17H2,1H3.
What are the key properties of 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine?
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 105035854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).