amino-(3-amino-5-methylphenyl)methanol

C8H12N2O — CID 57041170

IUPACamino-(3-amino-5-methylphenyl)methanol
SMILESCc1cc(N)cc(C(N)O)c1
InChIInChI=1S/C8H12N2O/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,8,11H,9-10H2,1H3
InChIKeyUSLUSTAFYOADLU-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.53
Rot. Bonds1

About amino-(3-amino-5-methylphenyl)methanol

amino-(3-amino-5-methylphenyl)methanol (PubChem CID 57041170) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is amino-(3-amino-5-methylphenyl)methanol.

Molecular Properties

Compound Nameamino-(3-amino-5-methylphenyl)methanol
PubChem CID57041170
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Nameamino-(3-amino-5-methylphenyl)methanol
SMILESCc1cc(N)cc(C(N)O)c1
InChIInChI=1S/C8H12N2O/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,8,11H,9-10H2,1H3
InChIKeyUSLUSTAFYOADLU-UHFFFAOYSA-N
XLogP0.53
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-(3-amino-5-methylphenyl)propan-2-ol
CID 130002019
1-(3-amino-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171861773
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
3,5-dimethylaniline;hydrofluoride
CID 158073989
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
3-(1-aminobut-3-enyl)-5-methylaniline
CID 130059672
4-(3-amino-5-methylphenyl)-3,4-dihydroxybutanenitrile
CID 171900704
tetrakis((3,5-dimethylphenyl)methanediol);titanium;dihydrate
CID 168793686
amino-(4-methylphenyl)methanol
CID 70304176

Frequently Asked Questions

What is the IUPAC name of amino-(3-amino-5-methylphenyl)methanol?
The IUPAC name of amino-(3-amino-5-methylphenyl)methanol (CID 57041170) is amino-(3-amino-5-methylphenyl)methanol.
What is the SMILES notation for amino-(3-amino-5-methylphenyl)methanol?
The canonical SMILES for amino-(3-amino-5-methylphenyl)methanol is Cc1cc(N)cc(C(N)O)c1.
What is the InChIKey of amino-(3-amino-5-methylphenyl)methanol?
The InChIKey is USLUSTAFYOADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,8,11H,9-10H2,1H3.
What are the key properties of amino-(3-amino-5-methylphenyl)methanol?
amino-(3-amino-5-methylphenyl)methanol has a molecular weight of 152.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(3-amino-5-methylphenyl)methanol is sourced from PubChem (CID 57041170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).