3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol

C16H18FNO2 — CID 104922782

IUPAC3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
SMILESOC[C@@H](Cc1ccccc1)NCc1cc(O)cc(F)c1
InChIInChI=1S/C16H18FNO2/c17-14-6-13(8-16(20)9-14)10-18-15(11-19)7-12-4-2-1-3-5-12/h1-6,8-9,15,18-20H,7,10-11H2/t15-/m1/s1
InChIKeyDHILAETUJZHMCL-OAHLLOKOSA-N
MW275.32 g/mol
LogP2.22
Rot. Bonds6

About 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol

3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol (PubChem CID 104922782) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
PubChem CID104922782
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
SMILESOC[C@@H](Cc1ccccc1)NCc1cc(O)cc(F)c1
InChIInChI=1S/C16H18FNO2/c17-14-6-13(8-16(20)9-14)10-18-15(11-19)7-12-4-2-1-3-5-12/h1-6,8-9,15,18-20H,7,10-11H2/t15-/m1/s1
InChIKeyDHILAETUJZHMCL-OAHLLOKOSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
3-[2-(benzylamino)-3-hydroxypropyl]-5-(trifluoromethyl)phenol
CID 21398992
(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922865
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
(2S)-2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610133
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 81002992
(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol
CID 107860721
(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067
N-[(3-bromo-5-fluorophenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 79708953
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol?
The IUPAC name of 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol (CID 104922782) is 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol?
The canonical SMILES for 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol is OC[C@@H](Cc1ccccc1)NCc1cc(O)cc(F)c1.
What is the InChIKey of 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol?
The InChIKey is DHILAETUJZHMCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-14-6-13(8-16(20)9-14)10-18-15(11-19)7-12-4-2-1-3-5-12/h1-6,8-9,15,18-20H,7,10-11H2/t15-/m1/s1.
What are the key properties of 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol?
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol has a molecular weight of 275.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 104922782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).