4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride

C16H20ClNO2 — CID 171269428

IUPAC4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride
SMILESCl.N[C@@H](c1ccc(O)c2ccccc12)[C@H](O)C1CCC1
InChIInChI=1S/C16H19NO2.ClH/c17-15(16(19)10-4-3-5-10)13-8-9-14(18)12-7-2-1-6-11(12)13;/h1-2,6-10,15-16,18-19H,3-5,17H2;1H/t15-,16+;/m0./s1
InChIKeyGOVRNGDYSOHLFC-IDVLALEDSA-N
MW293.79 g/mol
LogP3.13
Rot. Bonds3

About 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride

4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride (PubChem CID 171269428) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride
PubChem CID171269428
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride
SMILESCl.N[C@@H](c1ccc(O)c2ccccc12)[C@H](O)C1CCC1
InChIInChI=1S/C16H19NO2.ClH/c17-15(16(19)10-4-3-5-10)13-8-9-14(18)12-7-2-1-6-11(12)13;/h1-2,6-10,15-16,18-19H,3-5,17H2;1H/t15-,16+;/m0./s1
InChIKeyGOVRNGDYSOHLFC-IDVLALEDSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
CID 171269425
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzene-1,4-diol;hydrochloride
CID 171261376
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzene-1,4-diol
CID 171261375
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzene-1,4-diol
CID 171267059
(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol
CID 171264796
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
CID 171292394
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol;hydrochloride
CID 171261378
(1R,2S)-2-amino-1-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol
CID 171267061

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride?
The IUPAC name of 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride (CID 171269428) is 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride is Cl.N[C@@H](c1ccc(O)c2ccccc12)[C@H](O)C1CCC1.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride?
The InChIKey is GOVRNGDYSOHLFC-IDVLALEDSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c17-15(16(19)10-4-3-5-10)13-8-9-14(18)12-7-2-1-6-11(12)13;/h1-2,6-10,15-16,18-19H,3-5,17H2;1H/t15-,16+;/m0./s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride?
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride is sourced from PubChem (CID 171269428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).