1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine

C13H15ClN2 — CID 157177558

IUPAC1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine
SMILESCc1cccc(Cl)c1/C=N/CC1=NCCC1
InChIInChI=1S/C13H15ClN2/c1-10-4-2-6-13(14)12(10)9-15-8-11-5-3-7-16-11/h2,4,6,9H,3,5,7-8H2,1H3/b15-9+
InChIKeyAOEORFFVCDLPJK-OQLLNIDSSA-N
MW234.73 g/mol
LogP3.30
Rot. Bonds3

About 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine

1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine (PubChem CID 157177558) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine
PubChem CID157177558
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine
SMILESCc1cccc(Cl)c1/C=N/CC1=NCCC1
InChIInChI=1S/C13H15ClN2/c1-10-4-2-6-13(14)12(10)9-15-8-11-5-3-7-16-11/h2,4,6,9H,3,5,7-8H2,1H3/b15-9+
InChIKeyAOEORFFVCDLPJK-OQLLNIDSSA-N
XLogP3.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine 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

1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine
CID 90822812
1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine
CID 158525720
2-[(2,6-dimethylphenyl)methylideneamino]ethanol
CID 141084157
acetic acid;2-[(2-chloro-6-methylphenyl)methylideneamino]ethanimidamide
CID 158239944
1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
CID 134266599
N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine
CID 139662853
N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337628
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride
CID 21179402
N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
CID 102159889
1-chloro-2-[(E)-2-methoxyethenyl]-3-methylbenzene
CID 167712978
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
3-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 6894800

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine (CID 157177558) is 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine is Cc1cccc(Cl)c1/C=N/CC1=NCCC1.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine?
The InChIKey is AOEORFFVCDLPJK-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-10-4-2-6-13(14)12(10)9-15-8-11-5-3-7-16-11/h2,4,6,9H,3,5,7-8H2,1H3/b15-9+.
What are the key properties of 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine?
1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine has a molecular weight of 234.73 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine is sourced from PubChem (CID 157177558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).