5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine

C12H21F3N2O — CID 114490206

IUPAC5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
SMILESCOCCCC(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-18-8-2-3-11(16)9-17-6-4-10(5-7-17)12(13,14)15/h4,11H,2-3,5-9,16H2,1H3
InChIKeyGBYCRCNFWIKZJR-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.93
Rot. Bonds6

About 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine

5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine (PubChem CID 114490206) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
PubChem CID114490206
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
SMILESCOCCCC(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-18-8-2-3-11(16)9-17-6-4-10(5-7-17)12(13,14)15/h4,11H,2-3,5-9,16H2,1H3
InChIKeyGBYCRCNFWIKZJR-UHFFFAOYSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.93
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

4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114490224
5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 106315064
5-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113581639
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine
CID 113588391
1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine
CID 114410617
5-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410832

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The IUPAC name of 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine (CID 114490206) is 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine.
What is the SMILES notation for 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The canonical SMILES for 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine is COCCCC(N)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The InChIKey is GBYCRCNFWIKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-18-8-2-3-11(16)9-17-6-4-10(5-7-17)12(13,14)15/h4,11H,2-3,5-9,16H2,1H3.
What are the key properties of 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine has a molecular weight of 266.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine is sourced from PubChem (CID 114490206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).