[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

[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
CID 107229702
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 103699215
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
2-ethyl-N-phenylmethoxyoxan-4-amine
CID 82708858
[3-[(1,4-dithiepan-6-ylamino)methyl]phenyl]methanol
CID 122562649
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
CID 103887972
N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine
CID 114008937
3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106173039

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).