(3,5-diaminophenyl)methanol;dihydrochloride

C7H12Cl2N2O — CID 3015404

IUPAC(3,5-diaminophenyl)methanol;dihydrochloride
SMILESCl.Cl.Nc1cc(N)cc(CO)c1
InChIInChI=1S/C7H10N2O.2ClH/c8-6-1-5(4-10)2-7(9)3-6;;/h1-3,10H,4,8-9H2;2*1H
InChIKeyJPEQTVYJBMDSFJ-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.19
Rot. Bonds1

About (3,5-diaminophenyl)methanol;dihydrochloride

(3,5-diaminophenyl)methanol;dihydrochloride (PubChem CID 3015404) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is (3,5-diaminophenyl)methanol;dihydrochloride.

Molecular Properties

Compound Name(3,5-diaminophenyl)methanol;dihydrochloride
PubChem CID3015404
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name(3,5-diaminophenyl)methanol;dihydrochloride
SMILESCl.Cl.Nc1cc(N)cc(CO)c1
InChIInChI=1S/C7H10N2O.2ClH/c8-6-1-5(4-10)2-7(9)3-6;;/h1-3,10H,4,8-9H2;2*1H
InChIKeyJPEQTVYJBMDSFJ-UHFFFAOYSA-N
XLogP1.19
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,5-diaminophenyl)methanol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-diaminophenyl)methanol;hydrochloride
CID 43835078
(3,5-diaminophenyl)methanol
CID 586680
(3,4-diaminophenyl)methanol;hydrochloride
CID 174554686
(3,4-diaminophenyl)methanol;dihydrochloride
CID 24721578
[3-amino-5-(2-aminophenyl)phenyl]methanol
CID 68786518
ethane;methyl 3-amino-5-(hydroxymethyl)benzoate
CID 145485073
[3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol
CID 59313807
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
3,5-bis(aminomethyl)aniline
CID 23346986
(3-aminophenyl)methanol;phenol
CID 174804454
5-(silyloxymethyl)benzene-1,3-diamine
CID 163719021
2-(3,5-diaminophenyl)ethylphosphonic acid
CID 166514259

Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)methanol;dihydrochloride?
The IUPAC name of (3,5-diaminophenyl)methanol;dihydrochloride (CID 3015404) is (3,5-diaminophenyl)methanol;dihydrochloride.
What is the SMILES notation for (3,5-diaminophenyl)methanol;dihydrochloride?
The canonical SMILES for (3,5-diaminophenyl)methanol;dihydrochloride is Cl.Cl.Nc1cc(N)cc(CO)c1.
What is the InChIKey of (3,5-diaminophenyl)methanol;dihydrochloride?
The InChIKey is JPEQTVYJBMDSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-6-1-5(4-10)2-7(9)3-6;;/h1-3,10H,4,8-9H2;2*1H.
What are the key properties of (3,5-diaminophenyl)methanol;dihydrochloride?
(3,5-diaminophenyl)methanol;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)methanol;dihydrochloride is sourced from PubChem (CID 3015404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).