2,3-bis(methylamino)phenol

C8H12N2O — CID 54027072

IUPAC2,3-bis(methylamino)phenol
SMILESCNc1cccc(O)c1NC
InChIInChI=1S/C8H12N2O/c1-9-6-4-3-5-7(11)8(6)10-2/h3-5,9-11H,1-2H3
InChIKeyLCYCZHVEVUZVFR-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.48
Rot. Bonds2

About 2,3-bis(methylamino)phenol

2,3-bis(methylamino)phenol (PubChem CID 54027072) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,3-bis(methylamino)phenol.

Molecular Properties

Compound Name2,3-bis(methylamino)phenol
PubChem CID54027072
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,3-bis(methylamino)phenol
SMILESCNc1cccc(O)c1NC
InChIInChI=1S/C8H12N2O/c1-9-6-4-3-5-7(11)8(6)10-2/h3-5,9-11H,1-2H3
InChIKeyLCYCZHVEVUZVFR-UHFFFAOYSA-N
XLogP1.48
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylamino)phenol
CID 7421
o-(1-Piperazinyl)phenol
CID 70530
3-Ethylaminophenol
CID 578991
o-(Methylamino)phenol
CID 69138
3-hydroxy-N,N,N-trimethylbenzenaminium
CID 15384
2,3-Diaminophenol
CID 579937
2-[(3-Hydroxyphenyl)amino]acetamide
CID 81649
1-(3-Hydroxyphenyl)piperazine
CID 2736597
3-(Methylamino)phenol
CID 10820513
N-(2,5-Dihydroxyphenyl)acetamide
CID 6433002
o-(Ethylamino)phenol
CID 69196
m-(Isopropylamino)phenol
CID 90115

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylamino)phenol?
The IUPAC name of 2,3-bis(methylamino)phenol (CID 54027072) is 2,3-bis(methylamino)phenol.
What is the SMILES notation for 2,3-bis(methylamino)phenol?
The canonical SMILES for 2,3-bis(methylamino)phenol is CNc1cccc(O)c1NC.
What is the InChIKey of 2,3-bis(methylamino)phenol?
The InChIKey is LCYCZHVEVUZVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-9-6-4-3-5-7(11)8(6)10-2/h3-5,9-11H,1-2H3.
What are the key properties of 2,3-bis(methylamino)phenol?
2,3-bis(methylamino)phenol has a molecular weight of 152.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylamino)phenol is sourced from PubChem (CID 54027072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).