1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol

C13H19F3N2O — CID 62810463

IUPAC1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H19F3N2O/c1-3-18(4-2)8-10(19)7-17-9-5-11(14)13(16)12(15)6-9/h5-6,10,17,19H,3-4,7-8H2,1-2H3
InChIKeySSPZKEGRUULPPZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.22
Rot. Bonds7

About 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol

1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol (PubChem CID 62810463) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
PubChem CID62810463
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H19F3N2O/c1-3-18(4-2)8-10(19)7-17-9-5-11(14)13(16)12(15)6-9/h5-6,10,17,19H,3-4,7-8H2,1-2H3
InChIKeySSPZKEGRUULPPZ-UHFFFAOYSA-N
XLogP2.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
CID 83108692
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805
1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
CID 60900874
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
3-hydroxy-4-(3,4,5-trifluoroanilino)butanoic acid
CID 103249545
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
3,4,5-trifluoro-N-(2-methylpropyl)aniline
CID 62809579
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
CID 168637483
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
CID 114255834
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol (CID 62810463) is 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol is CCN(CC)CC(O)CNc1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol?
The InChIKey is SSPZKEGRUULPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-18(4-2)8-10(19)7-17-9-5-11(14)13(16)12(15)6-9/h5-6,10,17,19H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol?
1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol is sourced from PubChem (CID 62810463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).