3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride

C17H22ClNO — CID 44523412

IUPAC3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1cc2ccccc2cc1CNC1CCCCC1
InChIInChI=1S/C17H21NO.ClH/c19-17-11-14-7-5-4-6-13(14)10-15(17)12-18-16-8-2-1-3-9-16;/h4-7,10-11,16,18-19H,1-3,8-9,12H2;1H
InChIKeyDUPIMUYBBAGRML-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.39
Rot. Bonds3

About 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride

3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride (PubChem CID 44523412) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride
PubChem CID44523412
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1cc2ccccc2cc1CNC1CCCCC1
InChIInChI=1S/C17H21NO.ClH/c19-17-11-14-7-5-4-6-13(14)10-15(17)12-18-16-8-2-1-3-9-16;/h4-7,10-11,16,18-19H,1-3,8-9,12H2;1H
InChIKeyDUPIMUYBBAGRML-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride 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 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride (CID 44523412) is 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride is Cl.Oc1cc2ccccc2cc1CNC1CCCCC1.
What is the InChIKey of 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride?
The InChIKey is DUPIMUYBBAGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c19-17-11-14-7-5-4-6-13(14)10-15(17)12-18-16-8-2-1-3-9-16;/h4-7,10-11,16,18-19H,1-3,8-9,12H2;1H.
What are the key properties of 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride?
3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 44523412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).