2-amino-6-(aminomethyl)-4-methylphenol

C8H12N2O — CID 82417085

IUPAC2-amino-6-(aminomethyl)-4-methylphenol
SMILESCc1cc(N)c(O)c(CN)c1
InChIInChI=1S/C8H12N2O/c1-5-2-6(4-9)8(11)7(10)3-5/h2-3,11H,4,9-10H2,1H3
InChIKeyZJKSFQHFMJVDAO-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.74
Rot. Bonds1

About 2-amino-6-(aminomethyl)-4-methylphenol

2-amino-6-(aminomethyl)-4-methylphenol (PubChem CID 82417085) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-amino-6-(aminomethyl)-4-methylphenol.

Molecular Properties

Compound Name2-amino-6-(aminomethyl)-4-methylphenol
PubChem CID82417085
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-amino-6-(aminomethyl)-4-methylphenol
SMILESCc1cc(N)c(O)c(CN)c1
InChIInChI=1S/C8H12N2O/c1-5-2-6(4-9)8(11)7(10)3-5/h2-3,11H,4,9-10H2,1H3
InChIKeyZJKSFQHFMJVDAO-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-2-hydroxy-5-methylbenzenesulfonamide
CID 13210326
2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol
CID 21416993
2-amino-6-[(1R)-1,2-diaminoethyl]-4-methylphenol
CID 66516744
2-(aminomethyl)-6-[[4-[[3-(aminomethyl)-2-hydroxy-5-methylphenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-methylphenol
CID 170744074
2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol
CID 55262663
3-amino-2-hydroxy-5-methylbenzamide
CID 59564180
2-(aminomethyl)-4-chloro-6-methylphenol
CID 12652125
4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol
CID 84770587
3-amino-2-hydroxy-5-methylbenzonitrile
CID 171018045
2,6-bis[[5-(aminomethyl)-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-4-methylphenol
CID 151086831
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612
2,6-bis(aminomethyl)-4-bromophenol;dihydrochloride
CID 74889844

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(aminomethyl)-4-methylphenol?
The IUPAC name of 2-amino-6-(aminomethyl)-4-methylphenol (CID 82417085) is 2-amino-6-(aminomethyl)-4-methylphenol.
What is the SMILES notation for 2-amino-6-(aminomethyl)-4-methylphenol?
The canonical SMILES for 2-amino-6-(aminomethyl)-4-methylphenol is Cc1cc(N)c(O)c(CN)c1.
What is the InChIKey of 2-amino-6-(aminomethyl)-4-methylphenol?
The InChIKey is ZJKSFQHFMJVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-2-6(4-9)8(11)7(10)3-5/h2-3,11H,4,9-10H2,1H3.
What are the key properties of 2-amino-6-(aminomethyl)-4-methylphenol?
2-amino-6-(aminomethyl)-4-methylphenol has a molecular weight of 152.20 g/mol, XLogP of 0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(aminomethyl)-4-methylphenol is sourced from PubChem (CID 82417085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).