2-[[(3-methyloxolan-3-yl)amino]methyl]phenol

C12H17NO2 — CID 115768602

IUPAC2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
SMILESCC1(NCc2ccccc2O)CCOC1
InChIInChI=1S/C12H17NO2/c1-12(6-7-15-9-12)13-8-10-4-2-3-5-11(10)14/h2-5,13-14H,6-9H2,1H3
InChIKeyRJFVTHSSYYIZLO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.66
Rot. Bonds3

About 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol

2-[[(3-methyloxolan-3-yl)amino]methyl]phenol (PubChem CID 115768602) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
PubChem CID115768602
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
SMILESCC1(NCc2ccccc2O)CCOC1
InChIInChI=1S/C12H17NO2/c1-12(6-7-15-9-12)13-8-10-4-2-3-5-11(10)14/h2-5,13-14H,6-9H2,1H3
InChIKeyRJFVTHSSYYIZLO-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 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 ≤ 51.66
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

N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576
N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
CID 103897392
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
CID 115768581
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
6-methyl-2-[[(3-methyloxolan-3-yl)amino]methyl]pyridin-3-ol
CID 115768781
N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
CID 131025793
N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
CID 103897522
2-[[(3-methyloxolan-3-yl)amino]methyl]-6-nitrobenzoic acid
CID 103265144
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyloxan-3-amine
CID 103897407

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol (CID 115768602) is 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol is CC1(NCc2ccccc2O)CCOC1.
What is the InChIKey of 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol?
The InChIKey is RJFVTHSSYYIZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(6-7-15-9-12)13-8-10-4-2-3-5-11(10)14/h2-5,13-14H,6-9H2,1H3.
What are the key properties of 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol?
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methyloxolan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 115768602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).