N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine

C14H21F3N2O — CID 102709978

IUPACN-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-4-6-19-13(9-20-10(2)3)11-8-18-7-5-12(11)14(15,16)17/h5,7-8,10,13,19H,4,6,9H2,1-3H3
InChIKeyUYYYRZHSQBWPDH-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.57
Rot. Bonds7

About N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine

N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine (PubChem CID 102709978) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
PubChem CID102709978
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-4-6-19-13(9-20-10(2)3)11-8-18-7-5-12(11)14(15,16)17/h5,7-8,10,13,19H,4,6,9H2,1-3H3
InChIKeyUYYYRZHSQBWPDH-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
N-[2-propylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708209
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708411
N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102709683
N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 106858910
N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine
CID 102708886
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102709215
[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327

Frequently Asked Questions

What is the IUPAC name of N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine (CID 102709978) is N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine is CCCNC(COC(C)C)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine?
The InChIKey is UYYYRZHSQBWPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-4-6-19-13(9-20-10(2)3)11-8-18-7-5-12(11)14(15,16)17/h5,7-8,10,13,19H,4,6,9H2,1-3H3.
What are the key properties of N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine?
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine has a molecular weight of 290.33 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 102709978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).