1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol

C14H19NO2 — CID 21113609

IUPAC1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=CC1(O)NC1(O)C=CC=CC1C
InChIInChI=1S/C14H19NO2/c1-11-7-3-5-9-13(11,16)15-14(17)10-6-4-8-12(14)2/h3-12,15-17H,1-2H3
InChIKeySWOBJYDMGYIRDY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.48
Rot. Bonds2

About 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol

1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 21113609) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID21113609
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=CC1(O)NC1(O)C=CC=CC1C
InChIInChI=1S/C14H19NO2/c1-11-7-3-5-9-13(11,16)15-14(17)10-6-4-8-12(14)2/h3-12,15-17H,1-2H3
InChIKeySWOBJYDMGYIRDY-UHFFFAOYSA-N
XLogP1.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

1-Hydroxy 4-isopropylaniline
CID 129853725
1-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 23047997
1-Amino-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634740
1-Amino-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 166649404
1-Amino-6-ethenylcyclohexa-2,4-dien-1-ol
CID 174641157
(3S,4R)-4-amino-3-methylcyclohexa-1,5-diene-1,4-diol
CID 161550397

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol (CID 21113609) is 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol is CC1C=CC=CC1(O)NC1(O)C=CC=CC1C.
What is the InChIKey of 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is SWOBJYDMGYIRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-3-5-9-13(11,16)15-14(17)10-6-4-8-12(14)2/h3-12,15-17H,1-2H3.
What are the key properties of 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol?
1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)amino]-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 21113609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).