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

C18H23NO — CID 95511838

IUPAC(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
SMILESCc1ccc([C@@H](O)[C@H](C)NCCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-14-8-10-17(11-9-14)18(20)15(2)19-13-12-16-6-4-3-5-7-16/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyPFEGSVKJPUVJPG-YJBOKZPZSA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds6

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

(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol (PubChem CID 95511838) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
PubChem CID95511838
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
SMILESCc1ccc([C@@H](O)[C@H](C)NCCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-14-8-10-17(11-9-14)18(20)15(2)19-13-12-16-6-4-3-5-7-16/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyPFEGSVKJPUVJPG-YJBOKZPZSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
CID 69303183
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
CID 68746281
(2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol
CID 70143967
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol
CID 110184970
(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid
CID 67002110
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol?
The IUPAC name of (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol (CID 95511838) is (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol.
What is the SMILES notation for (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol?
The canonical SMILES for (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol is Cc1ccc([C@@H](O)[C@H](C)NCCc2ccccc2)cc1.
What is the InChIKey of (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol?
The InChIKey is PFEGSVKJPUVJPG-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-8-10-17(11-9-14)18(20)15(2)19-13-12-16-6-4-3-5-7-16/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol?
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol is sourced from PubChem (CID 95511838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).