(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol

C13H19NO3 — CID 105499069

IUPAC(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol
SMILESCOc1cccc(C(O)C2CCCCO2)c1N
InChIInChI=1S/C13H19NO3/c1-16-10-7-4-5-9(12(10)14)13(15)11-6-2-3-8-17-11/h4-5,7,11,13,15H,2-3,6,8,14H2,1H3
InChIKeySNOVKNXBFQGBHF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.88
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol

(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol (PubChem CID 105499069) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol
PubChem CID105499069
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol
SMILESCOc1cccc(C(O)C2CCCCO2)c1N
InChIInChI=1S/C13H19NO3/c1-16-10-7-4-5-9(12(10)14)13(15)11-6-2-3-8-17-11/h4-5,7,11,13,15H,2-3,6,8,14H2,1H3
InChIKeySNOVKNXBFQGBHF-UHFFFAOYSA-N
XLogP1.88
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-methylphenyl)-(oxan-2-yl)methanol
CID 105477673
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 113342471
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
(2-methoxyphenyl)-(4-methylmorpholin-2-yl)methanol
CID 79086803
2-[chloro-(2,5-dimethoxyphenyl)methyl]oxane
CID 62215354
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 105035624
2-methoxy-6-(oxolan-2-ylmethyl)aniline
CID 105460600
[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
CID 62214641
[1-(2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267281

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol?
The IUPAC name of (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol (CID 105499069) is (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol is COc1cccc(C(O)C2CCCCO2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol?
The InChIKey is SNOVKNXBFQGBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-10-7-4-5-9(12(10)14)13(15)11-6-2-3-8-17-11/h4-5,7,11,13,15H,2-3,6,8,14H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol?
(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol has a molecular weight of 237.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol is sourced from PubChem (CID 105499069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).