1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol

C13H20ClFN2O — CID 83108692

IUPAC1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H20ClFN2O/c1-3-17(4-2)9-11(18)8-16-10-5-6-13(15)12(14)7-10/h5-7,11,16,18H,3-4,8-9H2,1-2H3
InChIKeyVOLRNBUHIFWLQS-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.59
Rot. Bonds7

About 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol

1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol (PubChem CID 83108692) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
PubChem CID83108692
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H20ClFN2O/c1-3-17(4-2)9-11(18)8-16-10-5-6-13(15)12(14)7-10/h5-7,11,16,18H,3-4,8-9H2,1-2H3
InChIKeyVOLRNBUHIFWLQS-UHFFFAOYSA-N
XLogP2.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810463
(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
CID 39240659
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
CID 114255834
1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
CID 60900874
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
3-(3-chloro-4-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 83108551
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol (CID 83108692) is 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol?
The InChIKey is VOLRNBUHIFWLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2O/c1-3-17(4-2)9-11(18)8-16-10-5-6-13(15)12(14)7-10/h5-7,11,16,18H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol?
1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol has a molecular weight of 274.77 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 83108692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).