3-amino-2-methylphenol;hydrate

C7H11NO2 — CID 175262808

IUPAC3-amino-2-methylphenol;hydrate
SMILESCc1c(N)cccc1O.O
InChIInChI=1S/C7H9NO.H2O/c1-5-6(8)3-2-4-7(5)9;/h2-4,9H,8H2,1H3;1H2
InChIKeyUCUGUCJHJMRDJY-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.46
Rot. Bonds

About 3-amino-2-methylphenol;hydrate

3-amino-2-methylphenol;hydrate (PubChem CID 175262808) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-amino-2-methylphenol;hydrate.

Molecular Properties

Compound Name3-amino-2-methylphenol;hydrate
PubChem CID175262808
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-amino-2-methylphenol;hydrate
SMILESCc1c(N)cccc1O.O
InChIInChI=1S/C7H9NO.H2O/c1-5-6(8)3-2-4-7(5)9;/h2-4,9H,8H2,1H3;1H2
InChIKeyUCUGUCJHJMRDJY-UHFFFAOYSA-N
XLogP0.46
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylbenzene-1,3-diol
CID 139200813
2,5-diaminophenol;2-methylbenzene-1,3-diamine
CID 161250673
3-amino-2-methylphenol;formazan
CID 157254660
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
2,3-dimethylaniline;ethane
CID 142025904
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
2,3-dimethylaniline;formic acid
CID 66886773
2,3-diaminophenol;hydrochloride
CID 18381079
2,3-diaminophenol;zinc
CID 90019674
2-aminophenol;ethane;methane
CID 158189798
2,3-diaminophenol;dihydrochloride
CID 18401751

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylphenol;hydrate?
The IUPAC name of 3-amino-2-methylphenol;hydrate (CID 175262808) is 3-amino-2-methylphenol;hydrate.
What is the SMILES notation for 3-amino-2-methylphenol;hydrate?
The canonical SMILES for 3-amino-2-methylphenol;hydrate is Cc1c(N)cccc1O.O.
What is the InChIKey of 3-amino-2-methylphenol;hydrate?
The InChIKey is UCUGUCJHJMRDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.H2O/c1-5-6(8)3-2-4-7(5)9;/h2-4,9H,8H2,1H3;1H2.
What are the key properties of 3-amino-2-methylphenol;hydrate?
3-amino-2-methylphenol;hydrate has a molecular weight of 141.17 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylphenol;hydrate is sourced from PubChem (CID 175262808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).