2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol

C14H21NO2 — CID 115877250

IUPAC2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol
SMILESCC1CC(NCc2ccccc2O)CC(C)O1
InChIInChI=1S/C14H21NO2/c1-10-7-13(8-11(2)17-10)15-9-12-5-3-4-6-14(12)16/h3-6,10-11,13,15-16H,7-9H2,1-2H3
InChIKeyJMINENGYSVFNSC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds3

About 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol

2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol (PubChem CID 115877250) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol
PubChem CID115877250
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol
SMILESCC1CC(NCc2ccccc2O)CC(C)O1
InChIInChI=1S/C14H21NO2/c1-10-7-13(8-11(2)17-10)15-9-12-5-3-4-6-14(12)16/h3-6,10-11,13,15-16H,7-9H2,1-2H3
InChIKeyJMINENGYSVFNSC-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
2-[(thian-4-ylamino)methyl]phenol
CID 115603400
(2R,6S)-N-[(3-chlorothiophen-2-yl)methyl]-2,6-dimethyloxan-4-amine
CID 124732360
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
2-[[(3,5-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103254565
2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
CID 81422757
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
2-[[(3-methylcyclobutyl)amino]methyl]benzonitrile
CID 115768121
2-[(thian-3-ylamino)methyl]phenol
CID 115676061

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol (CID 115877250) is 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol is CC1CC(NCc2ccccc2O)CC(C)O1.
What is the InChIKey of 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol?
The InChIKey is JMINENGYSVFNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-13(8-11(2)17-10)15-9-12-5-3-4-6-14(12)16/h3-6,10-11,13,15-16H,7-9H2,1-2H3.
What are the key properties of 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol?
2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dimethyloxan-4-yl)amino]methyl]phenol is sourced from PubChem (CID 115877250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).