4-(3-amino-2-methyloxan-2-yl)phenol

C12H17NO2 — CID 15643838

IUPAC4-(3-amino-2-methyloxan-2-yl)phenol
SMILESCC1(c2ccc(O)cc2)OCCCC1N
InChIInChI=1S/C12H17NO2/c1-12(11(13)3-2-8-15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,2-3,8,13H2,1H3
InChIKeyHQRLSECHIFGFPA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.75
Rot. Bonds1

About 4-(3-amino-2-methyloxan-2-yl)phenol

4-(3-amino-2-methyloxan-2-yl)phenol (PubChem CID 15643838) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(3-amino-2-methyloxan-2-yl)phenol.

Molecular Properties

Compound Name4-(3-amino-2-methyloxan-2-yl)phenol
PubChem CID15643838
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(3-amino-2-methyloxan-2-yl)phenol
SMILESCC1(c2ccc(O)cc2)OCCCC1N
InChIInChI=1S/C12H17NO2/c1-12(11(13)3-2-8-15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,2-3,8,13H2,1H3
InChIKeyHQRLSECHIFGFPA-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-amino-1-methylcyclopropyl]phenol
CID 105432218
2-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 105449016
[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine
CID 105458004
4-[1,2,2-tris(4-hydroxyphenyl)cyclododecyl]phenol
CID 174963277
4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol
CID 22165061
oxane-2,2,3-triamine
CID 151620994
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile
CID 154117536
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
4-(1-amino-3,3-dimethylcyclobutyl)phenol
CID 115018738
2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114332102
2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane
CID 66751710

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methyloxan-2-yl)phenol?
The IUPAC name of 4-(3-amino-2-methyloxan-2-yl)phenol (CID 15643838) is 4-(3-amino-2-methyloxan-2-yl)phenol.
What is the SMILES notation for 4-(3-amino-2-methyloxan-2-yl)phenol?
The canonical SMILES for 4-(3-amino-2-methyloxan-2-yl)phenol is CC1(c2ccc(O)cc2)OCCCC1N.
What is the InChIKey of 4-(3-amino-2-methyloxan-2-yl)phenol?
The InChIKey is HQRLSECHIFGFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(11(13)3-2-8-15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,2-3,8,13H2,1H3.
What are the key properties of 4-(3-amino-2-methyloxan-2-yl)phenol?
4-(3-amino-2-methyloxan-2-yl)phenol has a molecular weight of 207.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methyloxan-2-yl)phenol is sourced from PubChem (CID 15643838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).