(3,5-diaminophenyl)methanol

C7H10N2O — CID 586680

IUPAC(3,5-diaminophenyl)methanol
SMILESNc1cc(N)cc(CO)c1
InChIInChI=1S/C7H10N2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4,8-9H2
InChIKeyOHLQBRYVKXJYHZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.34
Rot. Bonds1

About (3,5-diaminophenyl)methanol

(3,5-diaminophenyl)methanol (PubChem CID 586680) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (3,5-diaminophenyl)methanol.

Molecular Properties

Compound Name(3,5-diaminophenyl)methanol
PubChem CID586680
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(3,5-diaminophenyl)methanol
SMILESNc1cc(N)cc(CO)c1
InChIInChI=1S/C7H10N2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4,8-9H2
InChIKeyOHLQBRYVKXJYHZ-UHFFFAOYSA-N
XLogP0.34
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.34
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

(3,5-diaminophenyl)methanol;dihydrochloride
CID 3015404
(3,5-diaminophenyl)methanol;hydrochloride
CID 43835078
[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
(3,4-diaminophenyl)methanol;dihydrochloride
CID 24721578
(3,4-diaminophenyl)methanol;hydrochloride
CID 174554686
[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?
The IUPAC name of (3,5-diaminophenyl)methanol (CID 586680) is (3,5-diaminophenyl)methanol.
What is the SMILES notation for (3,5-diaminophenyl)methanol?
The canonical SMILES for (3,5-diaminophenyl)methanol is Nc1cc(N)cc(CO)c1.
What is the InChIKey of (3,5-diaminophenyl)methanol?
The InChIKey is OHLQBRYVKXJYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4,8-9H2.
What are the key properties of (3,5-diaminophenyl)methanol?
(3,5-diaminophenyl)methanol has a molecular weight of 138.17 g/mol, XLogP of 0.34, 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 is sourced from PubChem (CID 586680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).