1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C14H19ClF3NO — CID 62628604

IUPAC1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CCC(O)c1ccc(Cl)cc1)CC(F)(F)F
InChIInChI=1S/C14H19ClF3NO/c1-2-8-19(10-14(16,17)18)9-7-13(20)11-3-5-12(15)6-4-11/h3-6,13,20H,2,7-10H2,1H3
InChIKeyXTKPJZAEBBSAAU-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.04
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol

1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 62628604) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID62628604
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CCC(O)c1ccc(Cl)cc1)CC(F)(F)F
InChIInChI=1S/C14H19ClF3NO/c1-2-8-19(10-14(16,17)18)9-7-13(20)11-3-5-12(15)6-4-11/h3-6,13,20H,2,7-10H2,1H3
InChIKeyXTKPJZAEBBSAAU-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647
1-(3-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62623656
1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630833
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 55099258
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
CID 63489960
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 62628604) is 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is CCCN(CCC(O)c1ccc(Cl)cc1)CC(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is XTKPJZAEBBSAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NO/c1-2-8-19(10-14(16,17)18)9-7-13(20)11-3-5-12(15)6-4-11/h3-6,13,20H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 309.76 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 62628604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).