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

C19H25NO2 — CID 171266215

IUPAC(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c2ccccc12
InChIInChI=1S/C19H25NO2/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/t18-,19+/m1/s1
InChIKeySSPYTFGLIHPKLX-MOPGFXCFSA-N
MW299.41 g/mol
LogP3.79
Rot. Bonds4

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

(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol (PubChem CID 171266215) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
PubChem CID171266215
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c2ccccc12
InChIInChI=1S/C19H25NO2/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/t18-,19+/m1/s1
InChIKeySSPYTFGLIHPKLX-MOPGFXCFSA-N
XLogP3.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.79
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;hydrochloride
CID 171266216
(1S,2R)-2-amino-1-cyclohexyl-2-(2,3,4-trimethoxyphenyl)ethanol;hydrochloride
CID 171160903
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(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
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171261616
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
(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

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol (CID 171266215) is (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol is COc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c2ccccc12.
What is the InChIKey of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol?
The InChIKey is SSPYTFGLIHPKLX-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H25NO2/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/t18-,19+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol?
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol has a molecular weight of 299.41 g/mol, XLogP of 3.79, 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 is sourced from PubChem (CID 171266215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).