3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine

C15H19NO2 — CID 65164533

IUPAC3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccccc1OCCC1CCCO1
InChIInChI=1S/C15H19NO2/c16-10-3-6-13-5-1-2-8-15(13)18-12-9-14-7-4-11-17-14/h1-2,5,8,14H,4,7,9-12,16H2
InChIKeyBJWVTTCTIXUHRF-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.94
Rot. Bonds4

About 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine

3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine (PubChem CID 65164533) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
PubChem CID65164533
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccccc1OCCC1CCCO1
InChIInChI=1S/C15H19NO2/c16-10-3-6-13-5-1-2-8-15(13)18-12-9-14-7-4-11-17-14/h1-2,5,8,14H,4,7,9-12,16H2
InChIKeyBJWVTTCTIXUHRF-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65161585
3-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]prop-2-yn-1-amine
CID 104706850
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
4-[2-(oxan-2-ylmethoxy)phenyl]but-3-yn-1-ol
CID 54923275
2-[2-(oxolan-2-ylmethylsulfonyl)ethoxy]aniline
CID 106494924
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
CID 106000492
3-amino-4-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65158672
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine (CID 65164533) is 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine is NCC#Cc1ccccc1OCCC1CCCO1.
What is the InChIKey of 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is BJWVTTCTIXUHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-10-3-6-13-5-1-2-8-15(13)18-12-9-14-7-4-11-17-14/h1-2,5,8,14H,4,7,9-12,16H2.
What are the key properties of 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine?
3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 245.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 65164533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).