2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol

C15H23NO2 — CID 102632814

IUPAC2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol
SMILESCc1cc(CO)ccc1N(C)C1CCCCC1O
InChIInChI=1S/C15H23NO2/c1-11-9-12(10-17)7-8-13(11)16(2)14-5-3-4-6-15(14)18/h7-9,14-15,17-18H,3-6,10H2,1-2H3
InChIKeyLOAWXPNRCPBGBS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.23
Rot. Bonds3

About 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol

2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol (PubChem CID 102632814) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol
PubChem CID102632814
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol
SMILESCc1cc(CO)ccc1N(C)C1CCCCC1O
InChIInChI=1S/C15H23NO2/c1-11-9-12(10-17)7-8-13(11)16(2)14-5-3-4-6-15(14)18/h7-9,14-15,17-18H,3-6,10H2,1-2H3
InChIKeyLOAWXPNRCPBGBS-UHFFFAOYSA-N
XLogP2.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol?
The IUPAC name of 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol (CID 102632814) is 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol is Cc1cc(CO)ccc1N(C)C1CCCCC1O.
What is the InChIKey of 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol?
The InChIKey is LOAWXPNRCPBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-12(10-17)7-8-13(11)16(2)14-5-3-4-6-15(14)18/h7-9,14-15,17-18H,3-6,10H2,1-2H3.
What are the key properties of 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol?
2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol is sourced from PubChem (CID 102632814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).