2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride

C18H24ClNO2 — CID 44531462

IUPAC2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride
SMILESCOc1cccc2c(O)c(CNC3CCCCC3)ccc12.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-21-17-9-5-8-16-15(17)11-10-13(18(16)20)12-19-14-6-3-2-4-7-14;/h5,8-11,14,19-20H,2-4,6-7,12H2,1H3;1H
InChIKeySBMGAEJUXYEZHI-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.40
Rot. Bonds4

About 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride

2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride (PubChem CID 44531462) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride
PubChem CID44531462
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride
SMILESCOc1cccc2c(O)c(CNC3CCCCC3)ccc12.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-21-17-9-5-8-16-15(17)11-10-13(18(16)20)12-19-14-6-3-2-4-7-14;/h5,8-11,14,19-20H,2-4,6-7,12H2,1H3;1H
InChIKeySBMGAEJUXYEZHI-UHFFFAOYSA-N
XLogP4.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride?
The IUPAC name of 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride (CID 44531462) is 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride?
The canonical SMILES for 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride is COc1cccc2c(O)c(CNC3CCCCC3)ccc12.Cl.
What is the InChIKey of 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride?
The InChIKey is SBMGAEJUXYEZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-21-17-9-5-8-16-15(17)11-10-13(18(16)20)12-19-14-6-3-2-4-7-14;/h5,8-11,14,19-20H,2-4,6-7,12H2,1H3;1H.
What are the key properties of 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride?
2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride is sourced from PubChem (CID 44531462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).