1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine

C13H18ClF3N2 — CID 115517440

IUPAC1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccc(Cl)cn1
InChIInChI=1S/C13H18ClF3N2/c1-2-8-18-11(4-3-7-13(15,16)17)12-6-5-10(14)9-19-12/h5-6,9,11,18H,2-4,7-8H2,1H3
InChIKeyMBADDNJZKDYCOT-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.51
Rot. Bonds7

About 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 115517440) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID115517440
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccc(Cl)cn1
InChIInChI=1S/C13H18ClF3N2/c1-2-8-18-11(4-3-7-13(15,16)17)12-6-5-10(14)9-19-12/h5-6,9,11,18H,2-4,7-8H2,1H3
InChIKeyMBADDNJZKDYCOT-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517384
5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 113327036
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
CID 105156337
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine
CID 83162025
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106858377
1-(5-chloro-2-pyridinyl)butylhydrazine
CID 105251364
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 115517440) is 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is MBADDNJZKDYCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2/c1-2-8-18-11(4-3-7-13(15,16)17)12-6-5-10(14)9-19-12/h5-6,9,11,18H,2-4,7-8H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 294.75 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 115517440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).