1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine

C20H22FNO — CID 139679454

IUPAC1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine
SMILESCc1cc(F)ccc1OCC1=CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H22FNO/c1-16-12-19(21)9-10-20(16)23-15-18-8-5-11-22(14-18)13-17-6-3-2-4-7-17/h2-4,6-10,12H,5,11,13-15H2,1H3
InChIKeyGOAFSIUBZHBURH-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.35
Rot. Bonds5

About 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine

1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 139679454) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine
PubChem CID139679454
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine
SMILESCc1cc(F)ccc1OCC1=CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H22FNO/c1-16-12-19(21)9-10-20(16)23-15-18-8-5-11-22(14-18)13-17-6-3-2-4-7-17/h2-4,6-10,12H,5,11,13-15H2,1H3
InChIKeyGOAFSIUBZHBURH-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
1-benzyl-3-[(2-bromophenoxy)methyl]-2,5-dihydropyrrole
CID 68554228
1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 19095580
5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 139679463
4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione
CID 54410983
1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
CID 117206009
N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
CID 117205656
2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 91109625
1-benzyl-4-[(2-bromo-3,4-dimethylphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 177120343
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine (CID 139679454) is 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine is Cc1cc(F)ccc1OCC1=CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is GOAFSIUBZHBURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-16-12-19(21)9-10-20(16)23-15-18-8-5-11-22(14-18)13-17-6-3-2-4-7-17/h2-4,6-10,12H,5,11,13-15H2,1H3.
What are the key properties of 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine?
1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 311.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 139679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).