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

C16H16Cl2FNO2 — CID 168510550

IUPAC1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
SMILESOC(CNCc1ccc(F)cc1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FNO2/c17-12-3-6-16(15(18)7-12)22-10-14(21)9-20-8-11-1-4-13(19)5-2-11/h1-7,14,20-21H,8-10H2
InChIKeyYYGBMBKCULOTAA-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.66
Rot. Bonds7

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

1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol (PubChem CID 168510550) has the molecular formula C16H16Cl2FNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
PubChem CID168510550
Molecular FormulaC16H16Cl2FNO2
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
SMILESOC(CNCc1ccc(F)cc1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FNO2/c17-12-3-6-16(15(18)7-12)22-10-14(21)9-20-8-11-1-4-13(19)5-2-11/h1-7,14,20-21H,8-10H2
InChIKeyYYGBMBKCULOTAA-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633675
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol (CID 168510550) is 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol is OC(CNCc1ccc(F)cc1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol?
The InChIKey is YYGBMBKCULOTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO2/c17-12-3-6-16(15(18)7-12)22-10-14(21)9-20-8-11-1-4-13(19)5-2-11/h1-7,14,20-21H,8-10H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol?
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol has a molecular weight of 344.21 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 168510550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).