4-(2-amino-5-methylphenyl)oxan-4-ol

C12H17NO2 — CID 117104406

IUPAC4-(2-amino-5-methylphenyl)oxan-4-ol
SMILESCc1ccc(N)c(C2(O)CCOCC2)c1
InChIInChI=1S/C12H17NO2/c1-9-2-3-11(13)10(8-9)12(14)4-6-15-7-5-12/h2-3,8,14H,4-7,13H2,1H3
InChIKeyNGRMSGCJRYYBBD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.58
Rot. Bonds1

About 4-(2-amino-5-methylphenyl)oxan-4-ol

4-(2-amino-5-methylphenyl)oxan-4-ol (PubChem CID 117104406) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(2-amino-5-methylphenyl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-amino-5-methylphenyl)oxan-4-ol
PubChem CID117104406
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(2-amino-5-methylphenyl)oxan-4-ol
SMILESCc1ccc(N)c(C2(O)CCOCC2)c1
InChIInChI=1S/C12H17NO2/c1-9-2-3-11(13)10(8-9)12(14)4-6-15-7-5-12/h2-3,8,14H,4-7,13H2,1H3
InChIKeyNGRMSGCJRYYBBD-UHFFFAOYSA-N
XLogP1.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.58
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

4-(2-methoxy-5-methylphenyl)oxepan-4-ol
CID 65079088
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506
4-(2,5-dimethylphenyl)oxane-4-carboxylic acid
CID 82620301
4-(2-methylthiophen-3-yl)oxan-4-ol
CID 102829109
4-(4-bromo-2-methylphenyl)oxan-4-ol
CID 171367092
4-(2-fluoro-5-methylphenyl)oxepan-4-amine
CID 65077062
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
4-methylbenzene-1,2-diamine;morpholine
CID 174603217
1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol
CID 168788223
1-(2-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 62788885
4-(2,5-dimethylphenyl)-4-isocyanatooxane
CID 82082100

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylphenyl)oxan-4-ol?
The IUPAC name of 4-(2-amino-5-methylphenyl)oxan-4-ol (CID 117104406) is 4-(2-amino-5-methylphenyl)oxan-4-ol.
What is the SMILES notation for 4-(2-amino-5-methylphenyl)oxan-4-ol?
The canonical SMILES for 4-(2-amino-5-methylphenyl)oxan-4-ol is Cc1ccc(N)c(C2(O)CCOCC2)c1.
What is the InChIKey of 4-(2-amino-5-methylphenyl)oxan-4-ol?
The InChIKey is NGRMSGCJRYYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-2-3-11(13)10(8-9)12(14)4-6-15-7-5-12/h2-3,8,14H,4-7,13H2,1H3.
What are the key properties of 4-(2-amino-5-methylphenyl)oxan-4-ol?
4-(2-amino-5-methylphenyl)oxan-4-ol has a molecular weight of 207.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylphenyl)oxan-4-ol is sourced from PubChem (CID 117104406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).