N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine

C14H21F3N2O — CID 82792176

IUPACN-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1OCCCC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-6-18-9-12-10-19-11(2)8-13(12)20-7-4-5-14(15,16)17/h8,10,18H,3-7,9H2,1-2H3
InChIKeyUZPLWBSBOUEDKE-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.61
Rot. Bonds8

About N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 82792176) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID82792176
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1OCCCC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-6-18-9-12-10-19-11(2)8-13(12)20-7-4-5-14(15,16)17/h8,10,18H,3-7,9H2,1-2H3
InChIKeyUZPLWBSBOUEDKE-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.61
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

N-methyl-1-[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methanamine
CID 82792518
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250411
N-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136
N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254026
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176
N-[[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695788
N-[[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-1-amine
CID 115513284

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine (CID 82792176) is N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1OCCCC(F)(F)F.
What is the InChIKey of N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is UZPLWBSBOUEDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-6-18-9-12-10-19-11(2)8-13(12)20-7-4-5-14(15,16)17/h8,10,18H,3-7,9H2,1-2H3.
What are the key properties of N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.33 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 82792176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).