1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol

C16H17ClFNO2 — CID 60632821

IUPAC1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
SMILESOC(CNCc1ccccc1F)COc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO2/c17-13-5-7-15(8-6-13)21-11-14(20)10-19-9-12-3-1-2-4-16(12)18/h1-8,14,19-20H,9-11H2
InChIKeyKEHIZVSCLJNHBK-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.01
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol

1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol (PubChem CID 60632821) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
PubChem CID60632821
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
SMILESOC(CNCc1ccccc1F)COc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO2/c17-13-5-7-15(8-6-13)21-11-14(20)10-19-9-12-3-1-2-4-16(12)18/h1-8,14,19-20H,9-11H2
InChIKeyKEHIZVSCLJNHBK-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-chlorophenoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699701
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970538
1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989757
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
CID 115123586
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol (CID 60632821) is 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol is OC(CNCc1ccccc1F)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol?
The InChIKey is KEHIZVSCLJNHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c17-13-5-7-15(8-6-13)21-11-14(20)10-19-9-12-3-1-2-4-16(12)18/h1-8,14,19-20H,9-11H2.
What are the key properties of 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol?
1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol has a molecular weight of 309.77 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 60632821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).