1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine

C17H18Cl2N2 — CID 65469717

IUPAC1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
SMILESClc1cccc(Cl)c1NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H18Cl2N2/c18-15-7-4-8-16(19)17(15)20-14-9-10-21(12-14)11-13-5-2-1-3-6-13/h1-8,14,20H,9-12H2
InChIKeySHSKFXYHDSMGDM-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.68
Rot. Bonds4

About 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine

1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine (PubChem CID 65469717) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
PubChem CID65469717
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
SMILESClc1cccc(Cl)c1NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H18Cl2N2/c18-15-7-4-8-16(19)17(15)20-14-9-10-21(12-14)11-13-5-2-1-3-6-13/h1-8,14,20H,9-12H2
InChIKeySHSKFXYHDSMGDM-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
CID 167503574
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine
CID 113384475

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine (CID 65469717) is 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine is Clc1cccc(Cl)c1NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine?
The InChIKey is SHSKFXYHDSMGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-15-7-4-8-16(19)17(15)20-14-9-10-21(12-14)11-13-5-2-1-3-6-13/h1-8,14,20H,9-12H2.
What are the key properties of 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine?
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine has a molecular weight of 321.25 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 65469717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).