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

C15H17NO2 — CID 171266953

IUPAC(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-11(17)15(16)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11,15,17H,16H2,1H3/t11-,15-/m1/s1
InChIKeyAFBFINDUJCIOHS-IAQYHMDHSA-N
MW243.31 g/mol
LogP2.86
Rot. Bonds4

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

(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol (PubChem CID 171266953) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
PubChem CID171266953
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-11(17)15(16)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11,15,17H,16H2,1H3/t11-,15-/m1/s1
InChIKeyAFBFINDUJCIOHS-IAQYHMDHSA-N
XLogP2.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenoxyphenyl)ethanol
CID 12882419
(1R,2S)-1-amino-5-methyl-1-(3-phenoxyphenyl)hexan-2-ol
CID 171261271
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(2S,3R,4S)-4-(3-phenoxyphenyl)pentane-2,3-diol
CID 135050581
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol (CID 171266953) is (1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol?
The InChIKey is AFBFINDUJCIOHS-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(17)15(16)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11,15,17H,16H2,1H3/t11-,15-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol?
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.86, 4 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-phenoxyphenyl)propan-2-ol is sourced from PubChem (CID 171266953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).