3-[2-amino-1-(oxolan-3-yl)ethyl]phenol

C12H17NO2 — CID 105460621

IUPAC3-[2-amino-1-(oxolan-3-yl)ethyl]phenol
SMILESNCC(c1cccc(O)c1)C1CCOC1
InChIInChI=1S/C12H17NO2/c13-7-12(10-4-5-15-8-10)9-2-1-3-11(14)6-9/h1-3,6,10,12,14H,4-5,7-8,13H2
InChIKeyAPDZMPKIKRXORC-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.47
Rot. Bonds3

About 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol

3-[2-amino-1-(oxolan-3-yl)ethyl]phenol (PubChem CID 105460621) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-amino-1-(oxolan-3-yl)ethyl]phenol
PubChem CID105460621
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[2-amino-1-(oxolan-3-yl)ethyl]phenol
SMILESNCC(c1cccc(O)c1)C1CCOC1
InChIInChI=1S/C12H17NO2/c13-7-12(10-4-5-15-8-10)9-2-1-3-11(14)6-9/h1-3,6,10,12,14H,4-5,7-8,13H2
InChIKeyAPDZMPKIKRXORC-UHFFFAOYSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine
CID 83820646
3-[1-(oxolan-3-yl)ethyl]phenol
CID 115019111
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818
2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 105496707
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
CID 117237737
2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine
CID 83637307
3-(1-phenylethyl)oxolane
CID 150323599
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
[3-(aminomethyl)phenyl]-(oxan-4-yl)methanamine
CID 116937010

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol?
The IUPAC name of 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol (CID 105460621) is 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol?
The canonical SMILES for 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol is NCC(c1cccc(O)c1)C1CCOC1.
What is the InChIKey of 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol?
The InChIKey is APDZMPKIKRXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-7-12(10-4-5-15-8-10)9-2-1-3-11(14)6-9/h1-3,6,10,12,14H,4-5,7-8,13H2.
What are the key properties of 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol?
3-[2-amino-1-(oxolan-3-yl)ethyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(oxolan-3-yl)ethyl]phenol is sourced from PubChem (CID 105460621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).