3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine

C13H23F3N2O — CID 103227356

IUPAC3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCCCNCC(COC)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-3-6-17-9-12(10-19-2)18-7-4-11(5-8-18)13(14,15)16/h4,12,17H,3,5-10H2,1-2H3
InChIKeyDYTUCSWVTWBEIG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.20
Rot. Bonds7

About 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine

3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 103227356) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID103227356
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCCCNCC(COC)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-3-6-17-9-12(10-19-2)18-7-4-11(5-8-18)13(14,15)16/h4,12,17H,3,5-10H2,1-2H3
InChIKeyDYTUCSWVTWBEIG-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 103152791
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215727
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227351
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227352
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227353
N-ethyl-3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227354
3-methoxy-N-propan-2-yl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227355
3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227357
2-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 106115050
2-ethoxy-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591606
3-methoxy-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113790721
N-propyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490092

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 103227356) is 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is CCCNCC(COC)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is DYTUCSWVTWBEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-6-17-9-12(10-19-2)18-7-4-11(5-8-18)13(14,15)16/h4,12,17H,3,5-10H2,1-2H3.
What are the key properties of 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 280.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 103227356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).