(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol

C16H17ClFNO — CID 104922916

IUPAC(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H17ClFNO/c17-15-7-6-13(9-16(15)18)10-19-14(11-20)8-12-4-2-1-3-5-12/h1-7,9,14,19-20H,8,10-11H2/t14-/m1/s1
InChIKeyZDLWSGONEROMDA-CQSZACIVSA-N
MW293.77 g/mol
LogP3.17
Rot. Bonds6

About (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922916) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922916
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H17ClFNO/c17-15-7-6-13(9-16(15)18)10-19-14(11-20)8-12-4-2-1-3-5-12/h1-7,9,14,19-20H,8,10-11H2/t14-/m1/s1
InChIKeyZDLWSGONEROMDA-CQSZACIVSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 107860780
N-[(3-chloro-4-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 79008350
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol
CID 107860721
2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 103793106
(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922865
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 104922782

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol (CID 104922916) is (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol is OC[C@@H](Cc1ccccc1)NCc1ccc(Cl)c(F)c1.
What is the InChIKey of (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is ZDLWSGONEROMDA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClFNO/c17-15-7-6-13(9-16(15)18)10-19-14(11-20)8-12-4-2-1-3-5-12/h1-7,9,14,19-20H,8,10-11H2/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 293.77 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).