4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol

C16H19NO2 — CID 102809787

IUPAC4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
SMILESOC[C@H](Cc1ccccc1)NCc1ccc(O)cc1
InChIInChI=1S/C16H19NO2/c18-12-15(10-13-4-2-1-3-5-13)17-11-14-6-8-16(19)9-7-14/h1-9,15,17-19H,10-12H2/t15-/m0/s1
InChIKeyYFIIUYIRRIHTQS-HNNXBMFYSA-N
MW257.33 g/mol
LogP2.09
Rot. Bonds6

About 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol

4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol (PubChem CID 102809787) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
PubChem CID102809787
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
SMILESOC[C@H](Cc1ccccc1)NCc1ccc(O)cc1
InChIInChI=1S/C16H19NO2/c18-12-15(10-13-4-2-1-3-5-13)17-11-14-6-8-16(19)9-7-14/h1-9,15,17-19H,10-12H2/t15-/m0/s1
InChIKeyYFIIUYIRRIHTQS-HNNXBMFYSA-N
XLogP2.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzonitrile
CID 102610093
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 66523313
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 104922782
(2S)-2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610133
2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 81002992
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
4-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzene-1,2,3-triol
CID 107860798
2-(benzylamino)-3-(3,4-dimethoxyphenyl)propan-1-ol
CID 59712221
3-[2-(benzylamino)-3-hydroxypropyl]-5-(trifluoromethyl)phenol
CID 21398992

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol (CID 102809787) is 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol is OC[C@H](Cc1ccccc1)NCc1ccc(O)cc1.
What is the InChIKey of 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol?
The InChIKey is YFIIUYIRRIHTQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-12-15(10-13-4-2-1-3-5-13)17-11-14-6-8-16(19)9-7-14/h1-9,15,17-19H,10-12H2/t15-/m0/s1.
What are the key properties of 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol?
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 102809787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).