4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline

C15H15ClN2 — CID 3656822

IUPAC4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/c2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2/c1-18(2)13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16/h3-11H,1-2H3/b17-11+
InChIKeyPIYOJDWSJRFVDM-GZTJUZNOSA-N
MW258.75 g/mol
LogP4.16
Rot. Bonds3

About 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline

4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline (PubChem CID 3656822) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline
PubChem CID3656822
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/c2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2/c1-18(2)13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16/h3-11H,1-2H3/b17-11+
InChIKeyPIYOJDWSJRFVDM-GZTJUZNOSA-N
XLogP4.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline (CID 3656822) is 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/c2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline?
The InChIKey is PIYOJDWSJRFVDM-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-18(2)13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16/h3-11H,1-2H3/b17-11+.
What are the key properties of 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline?
4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline has a molecular weight of 258.75 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 3656822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).