(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol

C16H19NO2 — CID 171267031

IUPAC(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
SMILESCOc1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-19-14-9-7-13(8-10-14)16(17)15(18)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3/t15-,16+/m1/s1
InChIKeyOGTDIXATTYFFLV-CVEARBPZSA-N
MW257.33 g/mol
LogP2.30
Rot. Bonds5

About (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol

(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol (PubChem CID 171267031) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
PubChem CID171267031
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
SMILESCOc1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-19-14-9-7-13(8-10-14)16(17)15(18)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3/t15-,16+/m1/s1
InChIKeyOGTDIXATTYFFLV-CVEARBPZSA-N
XLogP2.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol with MolForge

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Related Compounds

(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171266887
(1S,2R)-1-amino-1-(4-methylsulfanylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171270436
(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
CID 171267050
(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
CID 171266575
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol
CID 171270282

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol (CID 171267031) is (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol is COc1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1.
What is the InChIKey of (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol?
The InChIKey is OGTDIXATTYFFLV-CVEARBPZSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-14-9-7-13(8-10-14)16(17)15(18)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol?
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171267031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).