[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol

C15H23NO2 — CID 107229792

IUPAC[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
SMILESCCC1CC(NCc2cccc(CO)c2)CCO1
InChIInChI=1S/C15H23NO2/c1-2-15-9-14(6-7-18-15)16-10-12-4-3-5-13(8-12)11-17/h3-5,8,14-17H,2,6-7,9-11H2,1H3
InChIKeyWUWQCMZBLGNUEH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.23
Rot. Bonds5

About [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol

[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol (PubChem CID 107229792) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
PubChem CID107229792
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
SMILESCCC1CC(NCc2cccc(CO)c2)CCO1
InChIInChI=1S/C15H23NO2/c1-2-15-9-14(6-7-18-15)16-10-12-4-3-5-13(8-12)11-17/h3-5,8,14-17H,2,6-7,9-11H2,1H3
InChIKeyWUWQCMZBLGNUEH-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl(piperidin-2-yl)methanol
CID 225581
1-(3-Methylphenyl)-2-[(propan-2-yl)amino]ethan-1-ol
CID 59373811
N-methyl-1,2-diphenylethanolamine
CID 99708
1-Phenyl-2-(3-propan-2-yloxypropylamino)ethanol
CID 4355706
1-Phenyl-2-piperidin-2-ylethanol
CID 328124
(alphaS,2S)-alpha-Phenyl-2-piperidineethanol
CID 10856632
N-Isobutyl-1,2-diphenylethanolamine
CID 3036007
(1R)-1-Phenyl-2-[(2R)-piperidin-2-yl]ethanol
CID 10878293
2-(Benzylamino)-1-phenylpropan-1-ol--hydrogen chloride (1/1)
CID 41105
Benzenemethanol, 3-methyl-alpha-((2-(4-piperidinyl)ethoxy)methyl)-
CID 3076671
(1S,2R)-2-(Isopropylamino)-1,2-diphenylethanol
CID 688271
(3-((Piperidin-1-yl)methyl)phenyl)methanol
CID 7164645

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol (CID 107229792) is [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol is CCC1CC(NCc2cccc(CO)c2)CCO1.
What is the InChIKey of [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is WUWQCMZBLGNUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-15-9-14(6-7-18-15)16-10-12-4-3-5-13(8-12)11-17/h3-5,8,14-17H,2,6-7,9-11H2,1H3.
What are the key properties of [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol?
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107229792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).