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

C13H19NO2 — CID 105477673

IUPAC(2-amino-3-methylphenyl)-(oxan-2-yl)methanol
SMILESCc1cccc(C(O)C2CCCCO2)c1N
InChIInChI=1S/C13H19NO2/c1-9-5-4-6-10(12(9)14)13(15)11-7-2-3-8-16-11/h4-6,11,13,15H,2-3,7-8,14H2,1H3
InChIKeyVGKVKALBGQZPOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds2

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

(2-amino-3-methylphenyl)-(oxan-2-yl)methanol (PubChem CID 105477673) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(oxan-2-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(oxan-2-yl)methanol
PubChem CID105477673
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2-amino-3-methylphenyl)-(oxan-2-yl)methanol
SMILESCc1cccc(C(O)C2CCCCO2)c1N
InChIInChI=1S/C13H19NO2/c1-9-5-4-6-10(12(9)14)13(15)11-7-2-3-8-16-11/h4-6,11,13,15H,2-3,7-8,14H2,1H3
InChIKeyVGKVKALBGQZPOT-UHFFFAOYSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol
CID 105499069
(2,5-dibromo-4-methylphenyl)-(oxan-2-yl)methanol
CID 81474176
2-methyl-6-(oxan-2-ylmethylsulfonyl)aniline
CID 81188241
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
CID 62214641
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
(5-methylfuran-2-yl)-(oxolan-2-yl)methanol
CID 123810880
oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methanol
CID 61086801
[2-(2-methylphenyl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105285184
furan-3-yl(oxan-2-yl)methanol
CID 115797283

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(oxan-2-yl)methanol?
The IUPAC name of (2-amino-3-methylphenyl)-(oxan-2-yl)methanol (CID 105477673) is (2-amino-3-methylphenyl)-(oxan-2-yl)methanol.
What is the SMILES notation for (2-amino-3-methylphenyl)-(oxan-2-yl)methanol?
The canonical SMILES for (2-amino-3-methylphenyl)-(oxan-2-yl)methanol is Cc1cccc(C(O)C2CCCCO2)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-(oxan-2-yl)methanol?
The InChIKey is VGKVKALBGQZPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-4-6-10(12(9)14)13(15)11-7-2-3-8-16-11/h4-6,11,13,15H,2-3,7-8,14H2,1H3.
What are the key properties of (2-amino-3-methylphenyl)-(oxan-2-yl)methanol?
(2-amino-3-methylphenyl)-(oxan-2-yl)methanol has a molecular weight of 221.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-(oxan-2-yl)methanol is sourced from PubChem (CID 105477673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).