1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine

C20H22ClNO4 — CID 56710181

IUPAC1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine
SMILESCOc1cc(Oc2ccc3c(c2)OCCO3)cc(Cl)c1CN1CCCC1
InChIInChI=1S/C20H22ClNO4/c1-23-19-12-15(10-17(21)16(19)13-22-6-2-3-7-22)26-14-4-5-18-20(11-14)25-9-8-24-18/h4-5,10-12H,2-3,6-9,13H2,1H3
InChIKeyHSDXKAJAGDLGBJ-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.51
Rot. Bonds5

About 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine

1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine (PubChem CID 56710181) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine
PubChem CID56710181
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine
SMILESCOc1cc(Oc2ccc3c(c2)OCCO3)cc(Cl)c1CN1CCCC1
InChIInChI=1S/C20H22ClNO4/c1-23-19-12-15(10-17(21)16(19)13-22-6-2-3-7-22)26-14-4-5-18-20(11-14)25-9-8-24-18/h4-5,10-12H,2-3,6-9,13H2,1H3
InChIKeyHSDXKAJAGDLGBJ-UHFFFAOYSA-N
XLogP4.51
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine with MolForge

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Related Compounds

1-[[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-ethoxyphenyl]methyl]pyrrolidine
CID 56704145
3-chloro-5-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 134548703
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
CID 166722775
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 45208052
5-chloro-4-[[(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42526335
(3R,4S)-1-[(2-chloro-4,6-dimethoxyphenyl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72901455
bis[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 57236214
2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
CID 83005076
(3S)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethylazepan-3-amine
CID 70779156
[3,5-dimethoxy-4-(piperidin-1-ylmethyl)phenyl] trifluoromethanesulfonate
CID 58266306
1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-4-(pyrrolidin-1-ylmethyl)phthalazine
CID 18381638

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine (CID 56710181) is 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine is COc1cc(Oc2ccc3c(c2)OCCO3)cc(Cl)c1CN1CCCC1.
What is the InChIKey of 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine?
The InChIKey is HSDXKAJAGDLGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-23-19-12-15(10-17(21)16(19)13-22-6-2-3-7-22)26-14-4-5-18-20(11-14)25-9-8-24-18/h4-5,10-12H,2-3,6-9,13H2,1H3.
What are the key properties of 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine?
1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine has a molecular weight of 375.85 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-6-methoxyphenyl]methyl]pyrrolidine is sourced from PubChem (CID 56710181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).