2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine

C15H23F3N2O — CID 115513270

IUPAC2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(OCCCC(F)(F)F)c(CNC(C)(C)C)n1
InChIInChI=1S/C15H23F3N2O/c1-11-6-7-13(21-9-5-8-15(16,17)18)12(20-11)10-19-14(2,3)4/h6-7,19H,5,8-10H2,1-4H3
InChIKeyASMUCXIIIJIPAO-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 115513270) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID115513270
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(OCCCC(F)(F)F)c(CNC(C)(C)C)n1
InChIInChI=1S/C15H23F3N2O/c1-11-6-7-13(21-9-5-8-15(16,17)18)12(20-11)10-19-14(2,3)4/h6-7,19H,5,8-10H2,1-4H3
InChIKeyASMUCXIIIJIPAO-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79156405
[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492150
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
CID 79168592
1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
CID 79158303
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
2-methyl-N-[[6-methyl-3-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79158953
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methylbutan-2-amine
CID 103175670
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81106538

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine (CID 115513270) is 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine is Cc1ccc(OCCCC(F)(F)F)c(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is ASMUCXIIIJIPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-11-6-7-13(21-9-5-8-15(16,17)18)12(20-11)10-19-14(2,3)4/h6-7,19H,5,8-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 304.36 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 115513270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).