4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline

C18H21ClN2 — CID 21210007

IUPAC4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H21ClN2/c1-4-21(5-2)17-10-7-15(8-11-17)13-20-18-12-16(19)9-6-14(18)3/h6-13H,4-5H2,1-3H3/b20-13+
InChIKeyJFKKSUKNGPZUMX-DEDYPNTBSA-N
MW300.83 g/mol
LogP5.25
Rot. Bonds5

About 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline

4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline (PubChem CID 21210007) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline
PubChem CID21210007
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H21ClN2/c1-4-21(5-2)17-10-7-15(8-11-17)13-20-18-12-16(19)9-6-14(18)3/h6-13H,4-5H2,1-3H3/b20-13+
InChIKeyJFKKSUKNGPZUMX-DEDYPNTBSA-N
XLogP5.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.25
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-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline?
The IUPAC name of 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline (CID 21210007) is 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=N/c2cc(Cl)ccc2C)cc1.
What is the InChIKey of 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline?
The InChIKey is JFKKSUKNGPZUMX-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-4-21(5-2)17-10-7-15(8-11-17)13-20-18-12-16(19)9-6-14(18)3/h6-13H,4-5H2,1-3H3/b20-13+.
What are the key properties of 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline?
4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline has a molecular weight of 300.83 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline is sourced from PubChem (CID 21210007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).