2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine

C12H15ClN2 — CID 62048646

IUPAC2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C12H15ClN2/c13-11-5-3-4-10(8-11)9-12(14)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7,9H2/b14-12-
InChIKeyUGJGQSSWWAJLHC-OWBHPGMISA-N
MW222.72 g/mol
LogP2.96
Rot. Bonds2

About 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine

2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine (PubChem CID 62048646) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine
PubChem CID62048646
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C12H15ClN2/c13-11-5-3-4-10(8-11)9-12(14)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7,9H2/b14-12-
InChIKeyUGJGQSSWWAJLHC-OWBHPGMISA-N
XLogP2.96
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1-pyrrolidin-1-ylethanimine
CID 54561938
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-imine
CID 63178537
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanimine
CID 66153926
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
CID 89339520
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine?
The IUPAC name of 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine (CID 62048646) is 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine is [H]/N=C(/Cc1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine?
The InChIKey is UGJGQSSWWAJLHC-OWBHPGMISA-N. The full InChI is InChI=1S/C12H15ClN2/c13-11-5-3-4-10(8-11)9-12(14)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7,9H2/b14-12-.
What are the key properties of 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine?
2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine has a molecular weight of 222.72 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 62048646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).