1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine

C18H19Cl2NO — CID 156722768

IUPAC1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine
SMILESCOc1cc(Cl)c(Cl)cc1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19Cl2NO/c1-22-18-10-17(20)16(19)9-15(18)14-7-8-21(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyNOICSQTZCCHZNK-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.99
Rot. Bonds4

About 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine

1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine (PubChem CID 156722768) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine
PubChem CID156722768
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine
SMILESCOc1cc(Cl)c(Cl)cc1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19Cl2NO/c1-22-18-10-17(20)16(19)9-15(18)14-7-8-21(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyNOICSQTZCCHZNK-UHFFFAOYSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
CID 13194422
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
CID 19959051
1-benzyl-N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 17159161
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
2-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725201
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56910155
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
1-benzyl-3-[4-(methylsulfanylmethyl)phenyl]pyrrolidine
CID 166966394
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine (CID 156722768) is 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine is COc1cc(Cl)c(Cl)cc1C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine?
The InChIKey is NOICSQTZCCHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-22-18-10-17(20)16(19)9-15(18)14-7-8-21(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12H2,1H3.
What are the key properties of 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine?
1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine has a molecular weight of 336.26 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 156722768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).