2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol

C11H15ClFNO — CID 105396212

IUPAC2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-3-14-7-11(2,15)9-6-8(13)4-5-10(9)12/h4-6,14-15H,3,7H2,1-2H3
InChIKeyINRBYCNLIZQXIJ-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.30
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol

2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol (PubChem CID 105396212) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
PubChem CID105396212
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-3-14-7-11(2,15)9-6-8(13)4-5-10(9)12/h4-6,14-15H,3,7H2,1-2H3
InChIKeyINRBYCNLIZQXIJ-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 105396214
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
3-(2-chloro-5-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 114264333
2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
CID 107528405

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol (CID 105396212) is 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol?
The InChIKey is INRBYCNLIZQXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-3-14-7-11(2,15)9-6-8(13)4-5-10(9)12/h4-6,14-15H,3,7H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol?
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 105396212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).