4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol

C12H17NO2 — CID 115978825

IUPAC4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
SMILESCC1(NCc2ccc(O)c(O)c2)CCC1
InChIInChI=1S/C12H17NO2/c1-12(5-2-6-12)13-8-9-3-4-10(14)11(15)7-9/h3-4,7,13-15H,2,5-6,8H2,1H3
InChIKeyRUAKNHDTQGWODH-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.13
Rot. Bonds3

About 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol

4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol (PubChem CID 115978825) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
PubChem CID115978825
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
SMILESCC1(NCc2ccc(O)c(O)c2)CCC1
InChIInChI=1S/C12H17NO2/c1-12(5-2-6-12)13-8-9-3-4-10(14)11(15)7-9/h3-4,7,13-15H,2,5-6,8H2,1H3
InChIKeyRUAKNHDTQGWODH-UHFFFAOYSA-N
XLogP2.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1-ethylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978682
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2,3-triol
CID 103953918
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
3-[[(1-methylcyclobutyl)amino]methyl]benzoic acid
CID 103264825
4-(methylaminomethyl)benzene-1,2-diol
CID 14515287
N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
CID 66473220
methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
CID 115924433
1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
CID 115765781
N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
CID 107740736

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol (CID 115978825) is 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol is CC1(NCc2ccc(O)c(O)c2)CCC1.
What is the InChIKey of 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol?
The InChIKey is RUAKNHDTQGWODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(5-2-6-12)13-8-9-3-4-10(14)11(15)7-9/h3-4,7,13-15H,2,5-6,8H2,1H3.
What are the key properties of 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol?
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol has a molecular weight of 207.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 115978825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).