(3,4-diaminophenyl)methanol;hydrochloride

C7H11ClN2O — CID 174554686

IUPAC(3,4-diaminophenyl)methanol;hydrochloride
SMILESCl.Nc1ccc(CO)cc1N
InChIInChI=1S/C7H10N2O.ClH/c8-6-2-1-5(4-10)3-7(6)9;/h1-3,10H,4,8-9H2;1H
InChIKeyPIWYXMVAVUSIML-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.77
Rot. Bonds1

About (3,4-diaminophenyl)methanol;hydrochloride

(3,4-diaminophenyl)methanol;hydrochloride (PubChem CID 174554686) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is (3,4-diaminophenyl)methanol;hydrochloride.

Molecular Properties

Compound Name(3,4-diaminophenyl)methanol;hydrochloride
PubChem CID174554686
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name(3,4-diaminophenyl)methanol;hydrochloride
SMILESCl.Nc1ccc(CO)cc1N
InChIInChI=1S/C7H10N2O.ClH/c8-6-2-1-5(4-10)3-7(6)9;/h1-3,10H,4,8-9H2;1H
InChIKeyPIWYXMVAVUSIML-UHFFFAOYSA-N
XLogP0.77
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.77
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

(3,4-diaminophenyl)methanol;dihydrochloride
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2-amino-4-(hydroxymethyl)phenol
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(4-amino-3-iodophenyl)methanol
CID 22724559
4-aminonaphthalene-1,8-dicarboxylic acid;(3,4-diaminophenyl)methanol;dihydrochloride
CID 68611853
[3-amino-4-(2-aminophenyl)phenyl]methanol
CID 68789508
(3,5-diaminophenyl)methanol;hydrochloride
CID 43835078
(3,5-diaminophenyl)methanol;dihydrochloride
CID 3015404
2-[(3,4-diaminophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 94810816
4-[(4-aminophenyl)methyl]benzene-1,2-diamine
CID 22022535
(3,4-diaminophenyl)methanesulfonic acid
CID 24827614
4-[(3-aminophenyl)methyl]benzene-1,2-diamine;trihydrochloride
CID 18353599
4-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 67818172

Frequently Asked Questions

What is the IUPAC name of (3,4-diaminophenyl)methanol;hydrochloride?
The IUPAC name of (3,4-diaminophenyl)methanol;hydrochloride (CID 174554686) is (3,4-diaminophenyl)methanol;hydrochloride.
What is the SMILES notation for (3,4-diaminophenyl)methanol;hydrochloride?
The canonical SMILES for (3,4-diaminophenyl)methanol;hydrochloride is Cl.Nc1ccc(CO)cc1N.
What is the InChIKey of (3,4-diaminophenyl)methanol;hydrochloride?
The InChIKey is PIWYXMVAVUSIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c8-6-2-1-5(4-10)3-7(6)9;/h1-3,10H,4,8-9H2;1H.
What are the key properties of (3,4-diaminophenyl)methanol;hydrochloride?
(3,4-diaminophenyl)methanol;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminophenyl)methanol;hydrochloride is sourced from PubChem (CID 174554686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).