1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine

C11H13ClN2O — CID 43113865

IUPAC1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-15-10-5-4-8(7-9(10)12)14-6-2-3-11(14)13/h4-5,7,13H,2-3,6H2,1H3/b13-11+
InChIKeyVZMRPZNSZFXBSN-ACCUITESSA-N
MW224.69 g/mol
LogP2.93
Rot. Bonds2

About 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine

1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine (PubChem CID 43113865) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine
PubChem CID43113865
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-15-10-5-4-8(7-9(10)12)14-6-2-3-11(14)13/h4-5,7,13H,2-3,6H2,1H3/b13-11+
InChIKeyVZMRPZNSZFXBSN-ACCUITESSA-N
XLogP2.93
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid
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4-(2-iminopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
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1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
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1-(3-chloro-4-methoxyphenyl)-3-methylpiperazine
CID 64924296
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
(3E)-1-(3-chloro-4-methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)indol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine (CID 43113865) is 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine?
The InChIKey is VZMRPZNSZFXBSN-ACCUITESSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-15-10-5-4-8(7-9(10)12)14-6-2-3-11(14)13/h4-5,7,13H,2-3,6H2,1H3/b13-11+.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine?
1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine has a molecular weight of 224.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)pyrrolidin-2-imine is sourced from PubChem (CID 43113865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).