[3-hydroxy-2-(methylamino)phenyl]azanium

C7H11N2O+ — CID 163990048

IUPAC[3-hydroxy-2-(methylamino)phenyl]azanium
SMILESCNc1c([NH3+])cccc1O
InChIInChI=1S/C7H10N2O/c1-9-7-5(8)3-2-4-6(7)10/h2-4,9-10H,8H2,1H3/p+1
InChIKeyTZULHIYGGNIFGD-UHFFFAOYSA-O
MW139.18 g/mol
LogP0.31
Rot. Bonds1

About [3-hydroxy-2-(methylamino)phenyl]azanium

[3-hydroxy-2-(methylamino)phenyl]azanium (PubChem CID 163990048) has the molecular formula C7H11N2O+ and a molecular weight of 139.18 g/mol. Its IUPAC name is [3-hydroxy-2-(methylamino)phenyl]azanium.

Molecular Properties

Compound Name[3-hydroxy-2-(methylamino)phenyl]azanium
PubChem CID163990048
Molecular FormulaC7H11N2O+
Molecular Weight139.18 g/mol
Exact Mass139.09
IUPAC Name[3-hydroxy-2-(methylamino)phenyl]azanium
SMILESCNc1c([NH3+])cccc1O
InChIInChI=1S/C7H10N2O/c1-9-7-5(8)3-2-4-6(7)10/h2-4,9-10H,8H2,1H3/p+1
InChIKeyTZULHIYGGNIFGD-UHFFFAOYSA-O
XLogP0.31
TPSA59.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-azaniumyl-6-hydroxyphenyl)methyl-dimethylazanium
CID 4919485
2-hydrazinyl-3-methylphenol
CID 130966480
2,4-difluoro-3-(methylamino)phenol
CID 18457325
2,6-ditert-butyl-N-methylaniline
CID 22239602
2-methoxy-3-(methylamino)phenol
CID 68789660
2-methylbenzene-1,3-diol
CID 139200813
N-methyl-2,6-diphenylaniline
CID 123873033
2-[[2-(methylamino)phenyl]diazenyl]phenol
CID 136646465
2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride
CID 21425584
2,4-dihydroxy-1-(methylamino)anthracene-9,10-dione
CID 21419205
benzene-1,2,3-triol
CID 87074018
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 69472911

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(methylamino)phenyl]azanium?
The IUPAC name of [3-hydroxy-2-(methylamino)phenyl]azanium (CID 163990048) is [3-hydroxy-2-(methylamino)phenyl]azanium.
What is the SMILES notation for [3-hydroxy-2-(methylamino)phenyl]azanium?
The canonical SMILES for [3-hydroxy-2-(methylamino)phenyl]azanium is CNc1c([NH3+])cccc1O.
What is the InChIKey of [3-hydroxy-2-(methylamino)phenyl]azanium?
The InChIKey is TZULHIYGGNIFGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2O/c1-9-7-5(8)3-2-4-6(7)10/h2-4,9-10H,8H2,1H3/p+1.
What are the key properties of [3-hydroxy-2-(methylamino)phenyl]azanium?
[3-hydroxy-2-(methylamino)phenyl]azanium has a molecular weight of 139.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(methylamino)phenyl]azanium is sourced from PubChem (CID 163990048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).