1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol

C18H23NO — CID 43371473

IUPAC1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCC1CCCCC1
InChIInChI=1S/C18H23NO/c20-18-11-10-15-8-4-5-9-16(15)17(18)13-19-12-14-6-2-1-3-7-14/h4-5,8-11,14,19-20H,1-3,6-7,12-13H2
InChIKeyXYSZUGGAXLSOCW-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.22
Rot. Bonds4

About 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol

1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol (PubChem CID 43371473) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol
PubChem CID43371473
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCC1CCCCC1
InChIInChI=1S/C18H23NO/c20-18-11-10-15-8-4-5-9-16(15)17(18)13-19-12-14-6-2-1-3-7-14/h4-5,8-11,14,19-20H,1-3,6-7,12-13H2
InChIKeyXYSZUGGAXLSOCW-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol (CID 43371473) is 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CNCC1CCCCC1.
What is the InChIKey of 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol?
The InChIKey is XYSZUGGAXLSOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18-11-10-15-8-4-5-9-16(15)17(18)13-19-12-14-6-2-1-3-7-14/h4-5,8-11,14,19-20H,1-3,6-7,12-13H2.
What are the key properties of 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol?
1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol has a molecular weight of 269.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohexylmethylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 43371473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).