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

C11H19F3N2O — CID 114490224

IUPAC4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
SMILESCOCCC(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-17-7-4-10(15)8-16-5-2-9(3-6-16)11(12,13)14/h2,10H,3-8,15H2,1H3
InChIKeyKMEXQRPBWQKUGT-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.54
Rot. Bonds5

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

4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine (PubChem CID 114490224) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
PubChem CID114490224
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
SMILESCOCCC(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-17-7-4-10(15)8-16-5-2-9(3-6-16)11(12,13)14/h2,10H,3-8,15H2,1H3
InChIKeyKMEXQRPBWQKUGT-UHFFFAOYSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227356
3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227357
3-methoxy-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113790721
2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
1-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490205
5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 114490206
N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490234

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The IUPAC name of 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine (CID 114490224) is 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine.
What is the SMILES notation for 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The canonical SMILES for 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine is COCCC(N)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The InChIKey is KMEXQRPBWQKUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-17-7-4-10(15)8-16-5-2-9(3-6-16)11(12,13)14/h2,10H,3-8,15H2,1H3.
What are the key properties of 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine has a molecular weight of 252.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine is sourced from PubChem (CID 114490224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).