2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine

C16H21Cl2NO2 — CID 12905454

IUPAC2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1CCOc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C16H21Cl2NO2/c1-3-7-19-8-4-5-13(19)6-9-21-15-11-12(17)10-14(18)16(15)20-2/h3,10-11,13H,1,4-9H2,2H3
InChIKeyYNNUHKCTTJPHOB-UHFFFAOYSA-N
MW330.25 g/mol
LogP4.42
Rot. Bonds7

About 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine

2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine (PubChem CID 12905454) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
PubChem CID12905454
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1CCOc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C16H21Cl2NO2/c1-3-7-19-8-4-5-13(19)6-9-21-15-11-12(17)10-14(18)16(15)20-2/h3,10-11,13H,1,4-9H2,2H3
InChIKeyYNNUHKCTTJPHOB-UHFFFAOYSA-N
XLogP4.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
CID 70520039
1-cyclohexyl-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine;phosphoric acid
CID 88723925
4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide
CID 18983069
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213687
2-(3-chloropropyl)-1-prop-2-enylpyrrolidine
CID 63388670
1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine
CID 23318292
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
2-(1-prop-2-enylpyrrolidin-2-yl)ethanol
CID 117028490
3-chloro-5-methoxy-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzaldehyde
CID 107912338
(2S)-2-heptyl-1-prop-2-enylpyrrolidine
CID 134905435
(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine
CID 99943979
2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 56514036

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine?
The IUPAC name of 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine (CID 12905454) is 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine is C=CCN1CCCC1CCOc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine?
The InChIKey is YNNUHKCTTJPHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-3-7-19-8-4-5-13(19)6-9-21-15-11-12(17)10-14(18)16(15)20-2/h3,10-11,13H,1,4-9H2,2H3.
What are the key properties of 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine?
2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine has a molecular weight of 330.25 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 12905454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).