(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride

C19H26ClNO2 — CID 171266216

IUPAC(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c2ccccc12.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-22-17-12-11-16(14-9-5-6-10-15(14)17)18(20)19(21)13-7-3-2-4-8-13;/h5-6,9-13,18-19,21H,2-4,7-8,20H2,1H3;1H/t18-,19+;/m1./s1
InChIKeyIJJBNHGCHXLDGZ-VOMIJIAVSA-N
MW335.88 g/mol
LogP4.21
Rot. Bonds4

About (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride (PubChem CID 171266216) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
PubChem CID171266216
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c2ccccc12.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-22-17-12-11-16(14-9-5-6-10-15(14)17)18(20)19(21)13-7-3-2-4-8-13;/h5-6,9-13,18-19,21H,2-4,7-8,20H2,1H3;1H/t18-,19+;/m1./s1
InChIKeyIJJBNHGCHXLDGZ-VOMIJIAVSA-N
XLogP4.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(1S,2R)-2-amino-1-cyclohexyl-2-(2,3,4-trimethoxyphenyl)ethanol;hydrochloride
CID 171160903
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171267308
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261620
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171261616
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride
CID 171267302
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride
CID 171269428

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride (CID 171266216) is (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride is COc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c2ccccc12.Cl.
What is the InChIKey of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride?
The InChIKey is IJJBNHGCHXLDGZ-VOMIJIAVSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-22-17-12-11-16(14-9-5-6-10-15(14)17)18(20)19(21)13-7-3-2-4-8-13;/h5-6,9-13,18-19,21H,2-4,7-8,20H2,1H3;1H/t18-,19+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 171266216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).