N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine

C15H23F3N2O — CID 102708571

IUPACN,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCCNC(c1cnccc1C(F)(F)F)C(CC)(CC)OC
InChIInChI=1S/C15H23F3N2O/c1-5-14(6-2,21-4)13(20-7-3)11-10-19-9-8-12(11)15(16,17)18/h8-10,13,20H,5-7H2,1-4H3
InChIKeyWNMILOIKUJCDID-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.96
Rot. Bonds7

About N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine

N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine (PubChem CID 102708571) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
PubChem CID102708571
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCCNC(c1cnccc1C(F)(F)F)C(CC)(CC)OC
InChIInChI=1S/C15H23F3N2O/c1-5-14(6-2,21-4)13(20-7-3)11-10-19-9-8-12(11)15(16,17)18/h8-10,13,20H,5-7H2,1-4H3
InChIKeyWNMILOIKUJCDID-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708410
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708274
N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709667
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
CID 116760962
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 114222081
N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102709215
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine (CID 102708571) is N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine is CCNC(c1cnccc1C(F)(F)F)C(CC)(CC)OC.
What is the InChIKey of N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The InChIKey is WNMILOIKUJCDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-5-14(6-2,21-4)13(20-7-3)11-10-19-9-8-12(11)15(16,17)18/h8-10,13,20H,5-7H2,1-4H3.
What are the key properties of N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine has a molecular weight of 304.36 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 102708571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).