4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine

C18H24FNO — CID 145467506

IUPAC4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC(c1ccc(C2=CCN(C)CC2)cc1)C1(CF)CC1
InChIInChI=1S/C18H24FNO/c1-20-11-7-15(8-12-20)14-3-5-16(6-4-14)17(21-2)18(13-19)9-10-18/h3-7,17H,8-13H2,1-2H3
InChIKeyVRAWNVXUYVURIC-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.84
Rot. Bonds5

About 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine

4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 145467506) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID145467506
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC(c1ccc(C2=CCN(C)CC2)cc1)C1(CF)CC1
InChIInChI=1S/C18H24FNO/c1-20-11-7-15(8-12-20)14-3-5-16(6-4-14)17(21-2)18(13-19)9-10-18/h3-7,17H,8-13H2,1-2H3
InChIKeyVRAWNVXUYVURIC-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine (CID 145467506) is 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine is COC(c1ccc(C2=CCN(C)CC2)cc1)C1(CF)CC1.
What is the InChIKey of 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is VRAWNVXUYVURIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-20-11-7-15(8-12-20)14-3-5-16(6-4-14)17(21-2)18(13-19)9-10-18/h3-7,17H,8-13H2,1-2H3.
What are the key properties of 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine?
4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 289.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 145467506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).