(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol

C19H25NO2 — CID 26458234

IUPAC(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
SMILESC[C@H](O)CN(Cc1ccc(-c2ccccc2)cc1)C[C@@H](C)O
InChIInChI=1S/C19H25NO2/c1-15(21)12-20(13-16(2)22)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15-16,21-22H,12-14H2,1-2H3/t15-,16+
InChIKeyCWKXWTATDWYAMJ-IYBDPMFKSA-N
MW299.41 g/mol
LogP2.92
Rot. Bonds7

About (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol

(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol (PubChem CID 26458234) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
PubChem CID26458234
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
SMILESC[C@H](O)CN(Cc1ccc(-c2ccccc2)cc1)C[C@@H](C)O
InChIInChI=1S/C19H25NO2/c1-15(21)12-20(13-16(2)22)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15-16,21-22H,12-14H2,1-2H3/t15-,16+
InChIKeyCWKXWTATDWYAMJ-IYBDPMFKSA-N
XLogP2.92
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 71237034
1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
[methyl-[(4-phenylphenyl)methyl]amino]methanol
CID 115229134
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 2846001
aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol
CID 174960687
2-[methyl-[(4-phenylphenyl)methyl]amino]ethanol
CID 60683589
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol (CID 26458234) is (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol is C[C@H](O)CN(Cc1ccc(-c2ccccc2)cc1)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol?
The InChIKey is CWKXWTATDWYAMJ-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15(21)12-20(13-16(2)22)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15-16,21-22H,12-14H2,1-2H3/t15-,16+.
What are the key properties of (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol?
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 26458234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).