4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol

C15H23NO2 — CID 55013705

IUPAC4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
SMILESCC1CCCCC1CNCc1ccc(O)cc1O
InChIInChI=1S/C15H23NO2/c1-11-4-2-3-5-12(11)9-16-10-13-6-7-14(17)8-15(13)18/h6-8,11-12,16-18H,2-5,9-10H2,1H3
InChIKeyGYQSKDGASNGQCM-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.01
Rot. Bonds4

About 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol

4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol (PubChem CID 55013705) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
PubChem CID55013705
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
SMILESCC1CCCCC1CNCc1ccc(O)cc1O
InChIInChI=1S/C15H23NO2/c1-11-4-2-3-5-12(11)9-16-10-13-6-7-14(17)8-15(13)18/h6-8,11-12,16-18H,2-5,9-10H2,1H3
InChIKeyGYQSKDGASNGQCM-UHFFFAOYSA-N
XLogP3.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630
2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 43195840
4-[(thiolan-3-ylmethylamino)methyl]benzene-1,3-diol
CID 107295244
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol (CID 55013705) is 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol is CC1CCCCC1CNCc1ccc(O)cc1O.
What is the InChIKey of 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol?
The InChIKey is GYQSKDGASNGQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-2-3-5-12(11)9-16-10-13-6-7-14(17)8-15(13)18/h6-8,11-12,16-18H,2-5,9-10H2,1H3.
What are the key properties of 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol?
4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol has a molecular weight of 249.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol is sourced from PubChem (CID 55013705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).