1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine

C13H17Cl2F3N2 — CID 115517384

IUPAC1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2F3N2/c1-2-6-19-11(4-3-5-13(16,17)18)12-10(15)7-9(14)8-20-12/h7-8,11,19H,2-6H2,1H3
InChIKeyDSZNUFGQUGDRMA-UHFFFAOYSA-N
MW329.19 g/mol
LogP5.16
Rot. Bonds7

About 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 115517384) has the molecular formula C13H17Cl2F3N2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID115517384
Molecular FormulaC13H17Cl2F3N2
Molecular Weight329.19 g/mol
Exact Mass328.07
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2F3N2/c1-2-6-19-11(4-3-5-13(16,17)18)12-10(15)7-9(14)8-20-12/h7-8,11,19H,2-6H2,1H3
InChIKeyDSZNUFGQUGDRMA-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517440
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
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
N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
CID 79779913
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79780406
5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 113327036
5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
CID 105065946
1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105174359

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 115517384) is 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is DSZNUFGQUGDRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2F3N2/c1-2-6-19-11(4-3-5-13(16,17)18)12-10(15)7-9(14)8-20-12/h7-8,11,19H,2-6H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 329.19 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 115517384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).