ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine

C18H24FN — CID 145472925

IUPACethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine
SMILESCC.Cc1cncc(CCCCc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN.C2H6/c1-13-10-15(12-18-11-13)5-3-2-4-14-6-8-16(17)9-7-14;1-2/h6-12H,2-5H2,1H3;1-2H3
InChIKeyBJSGWWSBMPESCC-UHFFFAOYSA-N
MW273.40 g/mol
LogP5.12
Rot. Bonds5

About ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine

ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine (PubChem CID 145472925) has the molecular formula C18H24FN and a molecular weight of 273.40 g/mol. Its IUPAC name is ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine.

Molecular Properties

Compound Nameethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine
PubChem CID145472925
Molecular FormulaC18H24FN
Molecular Weight273.40 g/mol
Exact Mass273.19
IUPAC Nameethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine
SMILESCC.Cc1cncc(CCCCc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN.C2H6/c1-13-10-15(12-18-11-13)5-3-2-4-14-6-8-16(17)9-7-14;1-2/h6-12H,2-5H2,1H3;1-2H3
InChIKeyBJSGWWSBMPESCC-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
ethane;3-fluoro-5-methylpyridine
CID 142820910
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine
CID 145472636
3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115375282
N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
CID 102880731
N-ethyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 115375184
4-[3-(5-methyl-3-pyridinyl)propyl]morpholine
CID 70853506

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine?
The IUPAC name of ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine (CID 145472925) is ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine.
What is the SMILES notation for ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine?
The canonical SMILES for ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine is CC.Cc1cncc(CCCCc2ccc(F)cc2)c1.
What is the InChIKey of ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine?
The InChIKey is BJSGWWSBMPESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN.C2H6/c1-13-10-15(12-18-11-13)5-3-2-4-14-6-8-16(17)9-7-14;1-2/h6-12H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine?
ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine has a molecular weight of 273.40 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine is sourced from PubChem (CID 145472925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).