1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

C17H26ClNO — CID 44532146

IUPAC1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1NCC1CCCCC1)CCCC2
InChIInChI=1S/C17H25NO.ClH/c19-16-11-10-14-8-4-5-9-15(14)17(16)18-12-13-6-2-1-3-7-13;/h10-11,13,18-19H,1-9,12H2;1H
InChIKeyJILULLSOWUKGJM-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.68
Rot. Bonds3

About 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (PubChem CID 44532146) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
PubChem CID44532146
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1NCC1CCCCC1)CCCC2
InChIInChI=1S/C17H25NO.ClH/c19-16-11-10-14-8-4-5-9-15(14)17(16)18-12-13-6-2-1-3-7-13;/h10-11,13,18-19H,1-9,12H2;1H
InChIKeyJILULLSOWUKGJM-UHFFFAOYSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-Tetrahydroquinolin-8-ol
CID 241490
4-(Benzylamino)-1-naphthol
CID 17937479
4-(Cyclohexylamino)-1-naphthol
CID 45487176
8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one
CID 155536314
8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one
CID 155548071
8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one
CID 155550964
8-hydroxy-5-[1-hydroxy-2-[3-(4-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one
CID 155557083
5-[2-[3-(3-fluorophenyl)propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 164608749
8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride
CID 164614248
8-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-methylphenyl)butan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride
CID 164615491
8-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride
CID 164617687
8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride
CID 164617771

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The IUPAC name of 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (CID 44532146) is 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is Cl.Oc1ccc2c(c1NCC1CCCCC1)CCCC2.
What is the InChIKey of 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The InChIKey is JILULLSOWUKGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c19-16-11-10-14-8-4-5-9-15(14)17(16)18-12-13-6-2-1-3-7-13;/h10-11,13,18-19H,1-9,12H2;1H.
What are the key properties of 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 44532146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).