N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine

C13H19F3N2 — CID 102708886

IUPACN-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine
SMILESCCCNC(C)CCc1cnccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-7-18-10(2)4-5-11-9-17-8-6-12(11)13(14,15)16/h6,8-10,18H,3-5,7H2,1-2H3
InChIKeyWPSGQIXPHSWHLS-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.42
Rot. Bonds6

About N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine

N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine (PubChem CID 102708886) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound NameN-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine
PubChem CID102708886
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine
SMILESCCCNC(C)CCc1cnccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-7-18-10(2)4-5-11-9-17-8-6-12(11)13(14,15)16/h6,8-10,18H,3-5,7H2,1-2H3
InChIKeyWPSGQIXPHSWHLS-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
3-heptyl-4-(trifluoromethyl)pyridine
CID 130384281
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102709978
N-[2-propylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708209
N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102709215
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708411
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
3-(3-chloropropyl)-4-(trifluoromethyl)pyridine
CID 102708951
1-(4-methyl-3-pyridinyl)-N-propylhexan-3-amine
CID 66272340
4-(4-methyl-3-pyridinyl)-N-propylpentan-2-amine
CID 66272751
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine?
The IUPAC name of N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine (CID 102708886) is N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine is CCCNC(C)CCc1cnccc1C(F)(F)F.
What is the InChIKey of N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine?
The InChIKey is WPSGQIXPHSWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-7-18-10(2)4-5-11-9-17-8-6-12(11)13(14,15)16/h6,8-10,18H,3-5,7H2,1-2H3.
What are the key properties of N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine?
N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine has a molecular weight of 260.30 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 102708886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).