(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol

C16H19NO2 — CID 171270166

IUPAC(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H19NO2/c1-12(18)16(17)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16,18H,11,17H2,1H3/t12-,16-/m1/s1
InChIKeyVDSCRGQLMBESHG-MLGOLLRUSA-N
MW257.33 g/mol
LogP2.65
Rot. Bonds5

About (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol

(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol (PubChem CID 171270166) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
PubChem CID171270166
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H19NO2/c1-12(18)16(17)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16,18H,11,17H2,1H3/t12-,16-/m1/s1
InChIKeyVDSCRGQLMBESHG-MLGOLLRUSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171211288
3-hydroxy-3-(3-phenylmethoxyphenyl)propanamide
CID 68644594
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
CID 21288530

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol (CID 171270166) is (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol?
The InChIKey is VDSCRGQLMBESHG-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(18)16(17)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16,18H,11,17H2,1H3/t12-,16-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol?
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.65, 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-(3-phenylmethoxyphenyl)propan-2-ol is sourced from PubChem (CID 171270166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).