5-amino-2-(3-aminophenyl)phenol;hydrochloride

C12H13ClN2O — CID 22023366

IUPAC5-amino-2-(3-aminophenyl)phenol;hydrochloride
SMILESCl.Nc1cccc(-c2ccc(N)cc2O)c1
InChIInChI=1S/C12H12N2O.ClH/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15;/h1-7,15H,13-14H2;1H
InChIKeyNELPEIBMEYBGGD-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.65
Rot. Bonds1

About 5-amino-2-(3-aminophenyl)phenol;hydrochloride

5-amino-2-(3-aminophenyl)phenol;hydrochloride (PubChem CID 22023366) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 5-amino-2-(3-aminophenyl)phenol;hydrochloride.

Molecular Properties

Compound Name5-amino-2-(3-aminophenyl)phenol;hydrochloride
PubChem CID22023366
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name5-amino-2-(3-aminophenyl)phenol;hydrochloride
SMILESCl.Nc1cccc(-c2ccc(N)cc2O)c1
InChIInChI=1S/C12H12N2O.ClH/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15;/h1-7,15H,13-14H2;1H
InChIKeyNELPEIBMEYBGGD-UHFFFAOYSA-N
XLogP2.65
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
CID 22023330
5-amino-2-(3-methoxyphenyl)phenol
CID 12067776
4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
CID 23514495
5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol
CID 22023326
5-amino-2-(2-hydroxyphenyl)phenol
CID 22023425
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
3-(3-aminophenyl)aniline;sulfane
CID 175159845
5-amino-2-(4-chlorophenyl)phenol
CID 12067762
5-amino-2-(3,5-difluorophenyl)phenol
CID 12067767
4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol
CID 68897959
[4-amino-2-(3-aminophenyl)phenyl]methanol
CID 68788430
3-[2,3-bis(3-aminophenyl)phenyl]phenol
CID 139931818

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-aminophenyl)phenol;hydrochloride?
The IUPAC name of 5-amino-2-(3-aminophenyl)phenol;hydrochloride (CID 22023366) is 5-amino-2-(3-aminophenyl)phenol;hydrochloride.
What is the SMILES notation for 5-amino-2-(3-aminophenyl)phenol;hydrochloride?
The canonical SMILES for 5-amino-2-(3-aminophenyl)phenol;hydrochloride is Cl.Nc1cccc(-c2ccc(N)cc2O)c1.
What is the InChIKey of 5-amino-2-(3-aminophenyl)phenol;hydrochloride?
The InChIKey is NELPEIBMEYBGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.ClH/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15;/h1-7,15H,13-14H2;1H.
What are the key properties of 5-amino-2-(3-aminophenyl)phenol;hydrochloride?
5-amino-2-(3-aminophenyl)phenol;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 2.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-aminophenyl)phenol;hydrochloride is sourced from PubChem (CID 22023366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).