6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol

C10H16N2O2 — CID 84667009

IUPAC6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol
SMILESCc1cc(N)c(O)c(O)c1CN(C)C
InChIInChI=1S/C10H16N2O2/c1-6-4-8(11)10(14)9(13)7(6)5-12(2)3/h4,13-14H,5,11H2,1-3H3
InChIKeyWSTZTMWSTOYJDJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.05
Rot. Bonds2

About 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol

6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol (PubChem CID 84667009) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol.

Molecular Properties

Compound Name6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol
PubChem CID84667009
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol
SMILESCc1cc(N)c(O)c(O)c1CN(C)C
InChIInChI=1S/C10H16N2O2/c1-6-4-8(11)10(14)9(13)7(6)5-12(2)3/h4,13-14H,5,11H2,1-3H3
InChIKeyWSTZTMWSTOYJDJ-UHFFFAOYSA-N
XLogP1.05
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-[(dimethylamino)methyl]-4-hydroxy-2-methylbenzoic acid
CID 84689127
6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol
CID 117300664
2,4-diamino-6-[(dimethylamino)methyl]phenol
CID 123247058
4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol
CID 130033656
2-[3-[(dimethylamino)methyl]-2-hydroxy-4-methylphenyl]acetic acid
CID 82392014
4-amino-2-bromo-6-methylbenzene-1,3-diol
CID 84683345
6-amino-2,3-difluoro-4-methylphenol
CID 59444170
2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine
CID 139658907
3-[3-[(dimethylamino)methyl]-2-hydroxy-4-methylphenyl]-1,2-oxazole-5-carboxylic acid
CID 136931967
5,11,17,23,29,35-hexakis[(dimethylamino)methyl]-2,8,14,20,26,32-hexaethylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene-4,6,10,12,16,18,22,24,28,30,34,36-dodecol
CID 101211770
2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117305510
6-amino-2,3-dimethoxy-4-methylphenol
CID 84658981

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol?
The IUPAC name of 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol (CID 84667009) is 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol.
What is the SMILES notation for 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol?
The canonical SMILES for 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol is Cc1cc(N)c(O)c(O)c1CN(C)C.
What is the InChIKey of 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol?
The InChIKey is WSTZTMWSTOYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-4-8(11)10(14)9(13)7(6)5-12(2)3/h4,13-14H,5,11H2,1-3H3.
What are the key properties of 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol?
6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(dimethylamino)methyl]-4-methylbenzene-1,2-diol is sourced from PubChem (CID 84667009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).