1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride

C18H24ClNO — CID 44531473

IUPAC1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
SMILESCC1CCC(NCc2c(O)ccc3ccccc23)CC1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-13-6-9-15(10-7-13)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20;/h2-5,8,11,13,15,19-20H,6-7,9-10,12H2,1H3;1H
InChIKeyLVCXBTAVRAHILO-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.64
Rot. Bonds3

About 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride

1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride (PubChem CID 44531473) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
PubChem CID44531473
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
SMILESCC1CCC(NCc2c(O)ccc3ccccc23)CC1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-13-6-9-15(10-7-13)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20;/h2-5,8,11,13,15,19-20H,6-7,9-10,12H2,1H3;1H
InChIKeyLVCXBTAVRAHILO-UHFFFAOYSA-N
XLogP4.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(4-methylcyclohexyl)amino]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

Related Compounds

1-Dimethylaminomethyl-2-naphthol
CID 223180
1-(1-Piperidinylmethyl)-2-naphthalenol
CID 21436
1,2,3,4-Tetrahydro-benzo[h]isoquinolin-8-ol
CID 9990355
1-(Aminomethyl)naphthalen-2-ol
CID 241200
4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
CID 156612931
8-Allyl-7-allylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
CID 10466960
1-{[Benzyl(methyl)amino]methyl}-2-naphthol
CID 577695
1-{[4-(3-Phenyl-2-propen-1-yl)-1-piperazinyl]methyl}-2-naphthol
CID 2213235
Mls002667152
CID 240953
GNF-Pf-5310
CID 241056
8-Allyl-7-propylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
CID 10332122
N-[(2-methoxy-1-naphthyl)methyl]-2-phenylethanamine hydrochloride
CID 2838218

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride (CID 44531473) is 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride is CC1CCC(NCc2c(O)ccc3ccccc23)CC1.Cl.
What is the InChIKey of 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride?
The InChIKey is LVCXBTAVRAHILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-13-6-9-15(10-7-13)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20;/h2-5,8,11,13,15,19-20H,6-7,9-10,12H2,1H3;1H.
What are the key properties of 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride?
1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 44531473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).