(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol

C17H20FNO2 — CID 927402

IUPAC(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-13(20)10-19-11-15-4-2-3-5-17(15)21-12-14-6-8-16(18)9-7-14/h2-9,13,19-20H,10-12H2,1H3/t13-/m0/s1
InChIKeyIVQFKCYTAUTZKD-ZDUSSCGKSA-N
MW289.35 g/mol
LogP2.88
Rot. Bonds7

About (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol

(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 927402) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID927402
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-13(20)10-19-11-15-4-2-3-5-17(15)21-12-14-6-8-16(18)9-7-14/h2-9,13,19-20H,10-12H2,1H3/t13-/m0/s1
InChIKeyIVQFKCYTAUTZKD-ZDUSSCGKSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 66531113
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 110906004
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4718343
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155194
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 927402) is (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol is C[C@H](O)CNCc1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is IVQFKCYTAUTZKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-13(20)10-19-11-15-4-2-3-5-17(15)21-12-14-6-8-16(18)9-7-14/h2-9,13,19-20H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 927402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).