1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride

C18H24ClNO — CID 44531472

IUPAC1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
SMILESCC1CCCC(NCc2c(O)ccc3ccccc23)C1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-13-5-4-7-15(11-13)19-12-17-16-8-3-2-6-14(16)9-10-18(17)20;/h2-3,6,8-10,13,15,19-20H,4-5,7,11-12H2,1H3;1H
InChIKeyGFTCBSJNRWRALU-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.64
Rot. Bonds3

About 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride

1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride (PubChem CID 44531472) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
PubChem CID44531472
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
SMILESCC1CCCC(NCc2c(O)ccc3ccccc23)C1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-13-5-4-7-15(11-13)19-12-17-16-8-3-2-6-14(16)9-10-18(17)20;/h2-3,6,8-10,13,15,19-20H,4-5,7,11-12H2,1H3;1H
InChIKeyGFTCBSJNRWRALU-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride (CID 44531472) is 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride is CC1CCCC(NCc2c(O)ccc3ccccc23)C1.Cl.
What is the InChIKey of 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride?
The InChIKey is GFTCBSJNRWRALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-13-5-4-7-15(11-13)19-12-17-16-8-3-2-6-14(16)9-10-18(17)20;/h2-3,6,8-10,13,15,19-20H,4-5,7,11-12H2,1H3;1H.
What are the key properties of 1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride?
1-[[(3-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-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 44531472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).