1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride

C19H26ClNO — CID 44531478

IUPAC1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2ccccc2c1CNCCC1CCCCC1
InChIInChI=1S/C19H25NO.ClH/c21-19-11-10-16-8-4-5-9-17(16)18(19)14-20-13-12-15-6-2-1-3-7-15;/h4-5,8-11,15,20-21H,1-3,6-7,12-14H2;1H
InChIKeyCQYQCVWRLAXHMO-UHFFFAOYSA-N
MW319.88 g/mol
LogP5.03
Rot. Bonds5

About 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride

1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride (PubChem CID 44531478) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride
PubChem CID44531478
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2ccccc2c1CNCCC1CCCCC1
InChIInChI=1S/C19H25NO.ClH/c21-19-11-10-16-8-4-5-9-17(16)18(19)14-20-13-12-15-6-2-1-3-7-15;/h4-5,8-11,15,20-21H,1-3,6-7,12-14H2;1H
InChIKeyCQYQCVWRLAXHMO-UHFFFAOYSA-N
XLogP5.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.88
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride (CID 44531478) is 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride is Cl.Oc1ccc2ccccc2c1CNCCC1CCCCC1.
What is the InChIKey of 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride?
The InChIKey is CQYQCVWRLAXHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c21-19-11-10-16-8-4-5-9-17(16)18(19)14-20-13-12-15-6-2-1-3-7-15;/h4-5,8-11,15,20-21H,1-3,6-7,12-14H2;1H.
What are the key properties of 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride?
1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 44531478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).