(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol

C24H27NO2 — CID 69303183

IUPAC(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
SMILESC[C@@H](NCCc1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-19(25-17-16-20-8-4-2-5-9-20)24(26)22-12-14-23(15-13-22)27-18-21-10-6-3-7-11-21/h2-15,19,24-26H,16-18H2,1H3/t19-,24-/m1/s1
InChIKeyRAFPDKSIOLQFRW-NTKDMRAZSA-N
MW361.49 g/mol
LogP4.52
Rot. Bonds9

About (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol

(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol (PubChem CID 69303183) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
PubChem CID69303183
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
SMILESC[C@@H](NCCc1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-19(25-17-16-20-8-4-2-5-9-20)24(26)22-12-14-23(15-13-22)27-18-21-10-6-3-7-11-21/h2-15,19,24-26H,16-18H2,1H3/t19-,24-/m1/s1
InChIKeyRAFPDKSIOLQFRW-NTKDMRAZSA-N
XLogP4.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
benzyl 2-[4-[2-[[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetate
CID 70173354
(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid
CID 67002110
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetic acid;hydrate
CID 139835763
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
CID 68746281
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
ethyl 4-hydroxy-3-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 69110170
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol (CID 69303183) is (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol is C[C@@H](NCCc1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is RAFPDKSIOLQFRW-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H27NO2/c1-19(25-17-16-20-8-4-2-5-9-20)24(26)22-12-14-23(15-13-22)27-18-21-10-6-3-7-11-21/h2-15,19,24-26H,16-18H2,1H3/t19-,24-/m1/s1.
What are the key properties of (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol?
(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 361.49 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 69303183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).