2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine

C17H21NO — CID 134328628

IUPAC2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine
SMILESCCc1ccc(COCCCc2ccccn2)cc1
InChIInChI=1S/C17H21NO/c1-2-15-8-10-16(11-9-15)14-19-13-5-7-17-6-3-4-12-18-17/h3-4,6,8-12H,2,5,7,13-14H2,1H3
InChIKeyPBXRVRPVXOYAPY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.79
Rot. Bonds7

About 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine

2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine (PubChem CID 134328628) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine.

Molecular Properties

Compound Name2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine
PubChem CID134328628
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine
SMILESCCc1ccc(COCCCc2ccccn2)cc1
InChIInChI=1S/C17H21NO/c1-2-15-8-10-16(11-9-15)14-19-13-5-7-17-6-3-4-12-18-17/h3-4,6,8-12H,2,5,7,13-14H2,1H3
InChIKeyPBXRVRPVXOYAPY-UHFFFAOYSA-N
XLogP3.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
CID 54970606
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
2-[3-(6-bromohexoxy)propyl]pyridine
CID 22161742
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302
1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
1-ethyl-4-(3-methoxypropoxymethyl)benzene
CID 160710352
2-undecylpyridine
CID 66882765
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-tetradecylpyridine;hydrochloride
CID 45489746

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine?
The IUPAC name of 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine (CID 134328628) is 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine.
What is the SMILES notation for 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine?
The canonical SMILES for 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine is CCc1ccc(COCCCc2ccccn2)cc1.
What is the InChIKey of 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine?
The InChIKey is PBXRVRPVXOYAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-15-8-10-16(11-9-15)14-19-13-5-7-17-6-3-4-12-18-17/h3-4,6,8-12H,2,5,7,13-14H2,1H3.
What are the key properties of 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine?
2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine has a molecular weight of 255.36 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine is sourced from PubChem (CID 134328628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).