2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C14H22F3N3O — CID 102717771

IUPAC2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCCCNc1cc(C(F)(F)F)cc(N(CCC)CCO)n1
InChIInChI=1S/C14H22F3N3O/c1-3-5-18-12-9-11(14(15,16)17)10-13(19-12)20(6-4-2)7-8-21/h9-10,21H,3-8H2,1-2H3,(H,18,19)
InChIKeyQPLZRWPXINZDTA-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.13
Rot. Bonds8

About 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 102717771) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID102717771
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCCCNc1cc(C(F)(F)F)cc(N(CCC)CCO)n1
InChIInChI=1S/C14H22F3N3O/c1-3-5-18-12-9-11(14(15,16)17)10-13(19-12)20(6-4-2)7-8-21/h9-10,21H,3-8H2,1-2H3,(H,18,19)
InChIKeyQPLZRWPXINZDTA-UHFFFAOYSA-N
XLogP3.13
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80796692
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 66330070
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717450
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
CID 80797618
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 102717771) is 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is CCCNc1cc(C(F)(F)F)cc(N(CCC)CCO)n1.
What is the InChIKey of 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is QPLZRWPXINZDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-3-5-18-12-9-11(14(15,16)17)10-13(19-12)20(6-4-2)7-8-21/h9-10,21H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 305.34 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 102717771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).