4-[1-(oxan-4-ylamino)ethyl]phenol

C13H19NO2 — CID 43609894

IUPAC4-[1-(oxan-4-ylamino)ethyl]phenol
SMILESCC(NC1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C13H19NO2/c1-10(11-2-4-13(15)5-3-11)14-12-6-8-16-9-7-12/h2-5,10,12,14-15H,6-9H2,1H3
InChIKeyQTYKTAUGFLRSRO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.22
Rot. Bonds3

About 4-[1-(oxan-4-ylamino)ethyl]phenol

4-[1-(oxan-4-ylamino)ethyl]phenol (PubChem CID 43609894) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[1-(oxan-4-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(oxan-4-ylamino)ethyl]phenol
PubChem CID43609894
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[1-(oxan-4-ylamino)ethyl]phenol
SMILESCC(NC1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C13H19NO2/c1-10(11-2-4-13(15)5-3-11)14-12-6-8-16-9-7-12/h2-5,10,12,14-15H,6-9H2,1H3
InChIKeyQTYKTAUGFLRSRO-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]oxan-4-amine
CID 43609831
4-[1-(oxepan-4-yl)ethyl]phenol
CID 147128517
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379352
(3R)-N-[(1S)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379351
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-4-ylamino)ethyl]phenol?
The IUPAC name of 4-[1-(oxan-4-ylamino)ethyl]phenol (CID 43609894) is 4-[1-(oxan-4-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(oxan-4-ylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(oxan-4-ylamino)ethyl]phenol is CC(NC1CCOCC1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(oxan-4-ylamino)ethyl]phenol?
The InChIKey is QTYKTAUGFLRSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(11-2-4-13(15)5-3-11)14-12-6-8-16-9-7-12/h2-5,10,12,14-15H,6-9H2,1H3.
What are the key properties of 4-[1-(oxan-4-ylamino)ethyl]phenol?
4-[1-(oxan-4-ylamino)ethyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-4-ylamino)ethyl]phenol is sourced from PubChem (CID 43609894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).