2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol

C12H16Cl2FNO2 — CID 62774391

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2FNO2/c1-12(17,7-16-3-4-18-2)8-5-11(15)10(14)6-9(8)13/h5-6,16-17H,3-4,7H2,1-2H3
InChIKeyWCYBMZYSFWMBEU-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.58
Rot. Bonds6

About 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol

2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol (PubChem CID 62774391) has the molecular formula C12H16Cl2FNO2 and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol
PubChem CID62774391
Molecular FormulaC12H16Cl2FNO2
Molecular Weight296.17 g/mol
Exact Mass295.05
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2FNO2/c1-12(17,7-16-3-4-18-2)8-5-11(15)10(14)6-9(8)13/h5-6,16-17H,3-4,7H2,1-2H3
InChIKeyWCYBMZYSFWMBEU-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
CID 102756270
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate
CID 62214465
1-(2-chloro-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037305
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
CID 66037072
2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 103041084
2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 103434611
2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002495
2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
CID 63407051
1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol (CID 62774391) is 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol is COCCNCC(C)(O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol?
The InChIKey is WCYBMZYSFWMBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2FNO2/c1-12(17,7-16-3-4-18-2)8-5-11(15)10(14)6-9(8)13/h5-6,16-17H,3-4,7H2,1-2H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol?
2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol has a molecular weight of 296.17 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 62774391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).