3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol

C17H21NO2 — CID 107860727

IUPAC3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
SMILESCC(N[C@@H](CO)Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C17H21NO2/c1-13(15-8-5-9-17(20)11-15)18-16(12-19)10-14-6-3-2-4-7-14/h2-9,11,13,16,18-20H,10,12H2,1H3/t13?,16-/m1/s1
InChIKeyPOHHOYJWUOCHQL-FQNRMIAFSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds6

About 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol

3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol (PubChem CID 107860727) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
PubChem CID107860727
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
SMILESCC(N[C@@H](CO)Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C17H21NO2/c1-13(15-8-5-9-17(20)11-15)18-16(12-19)10-14-6-3-2-4-7-14/h2-9,11,13,16,18-20H,10,12H2,1H3/t13?,16-/m1/s1
InChIKeyPOHHOYJWUOCHQL-FQNRMIAFSA-N
XLogP2.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260760
3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol
CID 124627955
2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260929
4-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]ethyl]benzene-1,3-diol
CID 63260759
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 104926128
4-[[(1S)-1-(3-hydroxyphenyl)ethyl]carbamoylamino]-5-phenylpentanoic acid
CID 122011972
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
CID 81363641
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol (CID 107860727) is 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol is CC(N[C@@H](CO)Cc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol?
The InChIKey is POHHOYJWUOCHQL-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(15-8-5-9-17(20)11-15)18-16(12-19)10-14-6-3-2-4-7-14/h2-9,11,13,16,18-20H,10,12H2,1H3/t13?,16-/m1/s1.
What are the key properties of 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol?
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 107860727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).