(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol

C19H23NO3 — CID 171264853

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1OCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-22-16-10-9-15(18(20)19(21)14-7-8-14)11-17(16)23-12-13-5-3-2-4-6-13/h2-6,9-11,14,18-19,21H,7-8,12,20H2,1H3/t18-,19+/m1/s1
InChIKeyZOXVTPGFELVKCS-MOPGFXCFSA-N
MW313.40 g/mol
LogP3.04
Rot. Bonds7

About (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol

(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol (PubChem CID 171264853) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
PubChem CID171264853
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1OCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-22-16-10-9-15(18(20)19(21)14-7-8-14)11-17(16)23-12-13-5-3-2-4-6-13/h2-6,9-11,14,18-19,21H,7-8,12,20H2,1H3/t18-,19+/m1/s1
InChIKeyZOXVTPGFELVKCS-MOPGFXCFSA-N
XLogP3.04
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-1-cyclopentyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol;hydrochloride
CID 171264858
(1S,2R)-2-amino-1-cyclopropyl-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanol
CID 171265338
(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171213011
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R,2S)-2-amino-1-cyclobutyl-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanol
CID 171271013
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1S,2R)-2-amino-1-cyclopropyl-2-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanol;hydrochloride
CID 171265367
5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
CID 171160742
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol (CID 171264853) is (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol is COc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1OCc1ccccc1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol?
The InChIKey is ZOXVTPGFELVKCS-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23NO3/c1-22-16-10-9-15(18(20)19(21)14-7-8-14)11-17(16)23-12-13-5-3-2-4-6-13/h2-6,9-11,14,18-19,21H,7-8,12,20H2,1H3/t18-,19+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol?
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol has a molecular weight of 313.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 171264853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).