3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine

C13H19NO2 — CID 115004698

IUPAC3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESNCCCc1cccc(OC2CCOC2)c1
InChIInChI=1S/C13H19NO2/c14-7-2-4-11-3-1-5-12(9-11)16-13-6-8-15-10-13/h1,3,5,9,13H,2,4,6-8,10,14H2
InChIKeyHYLWLKJNNIZZIJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.75
Rot. Bonds5

About 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine

3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine (PubChem CID 115004698) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
PubChem CID115004698
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESNCCCc1cccc(OC2CCOC2)c1
InChIInChI=1S/C13H19NO2/c14-7-2-4-11-3-1-5-12(9-11)16-13-6-8-15-10-13/h1,3,5,9,13H,2,4,6-8,10,14H2
InChIKeyHYLWLKJNNIZZIJ-UHFFFAOYSA-N
XLogP1.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(oxolan-3-yloxy)phenyl]propan-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

3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117318293
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
4-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
(2S)-1-amino-2-[3-[(3R)-oxolan-3-yl]oxyphenyl]butan-2-ol
CID 143948383
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
O-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117285119

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine (CID 115004698) is 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine is NCCCc1cccc(OC2CCOC2)c1.
What is the InChIKey of 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine?
The InChIKey is HYLWLKJNNIZZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-7-2-4-11-3-1-5-12(9-11)16-13-6-8-15-10-13/h1,3,5,9,13H,2,4,6-8,10,14H2.
What are the key properties of 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine?
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 115004698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).