1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine

C17H17Cl2N — CID 173052074

IUPAC1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
SMILESClc1ccc(C2CCN(Cc3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C17H17Cl2N/c18-15-6-7-16(17(19)10-15)14-8-9-20(12-14)11-13-4-2-1-3-5-13/h1-7,10,14H,8-9,11-12H2
InChIKeyZSINJAHVGFQRDA-UHFFFAOYSA-N
MW306.24 g/mol
LogP4.98
Rot. Bonds3

About 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine

1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine (PubChem CID 173052074) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
PubChem CID173052074
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
SMILESClc1ccc(C2CCN(Cc3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C17H17Cl2N/c18-15-6-7-16(17(19)10-15)14-8-9-20(12-14)11-13-4-2-1-3-5-13/h1-7,10,14H,8-9,11-12H2
InChIKeyZSINJAHVGFQRDA-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine
CID 156722768
1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
CID 110535833
[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
CID 19959051
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
CID 11601858
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
1-benzyl-3-(2-nitrophenyl)pyrrolidine
CID 23087338
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
(4aS,10bR)-2-benzyl-7-chloro-1,3,4,4a,6,10b-hexahydroisochromeno[4,3-c]pyridine
CID 59448444
(4aS,10bS)-2-benzyl-7-chloro-1,3,4,4a,6,10b-hexahydroisochromeno[4,3-c]pyridine;(4aS,10bR)-2-benzyl-7-chloro-1,3,4,4a,6,10b-hexahydroisochromeno[4,3-c]pyridine
CID 160758551

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine?
The IUPAC name of 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine (CID 173052074) is 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine is Clc1ccc(C2CCN(Cc3ccccc3)C2)c(Cl)c1.
What is the InChIKey of 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine?
The InChIKey is ZSINJAHVGFQRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c18-15-6-7-16(17(19)10-15)14-8-9-20(12-14)11-13-4-2-1-3-5-13/h1-7,10,14H,8-9,11-12H2.
What are the key properties of 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine?
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine has a molecular weight of 306.24 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine is sourced from PubChem (CID 173052074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).