3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline

C19H24ClN3O — CID 54055519

IUPAC3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline
SMILESCCN(CC)c1ccc(C=NN(C)c2ccc(OC)cc2)c(Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-5-23(6-2)17-8-7-15(19(20)13-17)14-21-22(3)16-9-11-18(24-4)12-10-16/h7-14H,5-6H2,1-4H3
InChIKeyLVYWFLRFICXEEK-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.67
Rot. Bonds7

About 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline

3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline (PubChem CID 54055519) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline
PubChem CID54055519
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline
SMILESCCN(CC)c1ccc(C=NN(C)c2ccc(OC)cc2)c(Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-5-23(6-2)17-8-7-15(19(20)13-17)14-21-22(3)16-9-11-18(24-4)12-10-16/h7-14H,5-6H2,1-4H3
InChIKeyLVYWFLRFICXEEK-UHFFFAOYSA-N
XLogP4.67
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline?
The IUPAC name of 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline (CID 54055519) is 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline.
What is the SMILES notation for 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline?
The canonical SMILES for 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline is CCN(CC)c1ccc(C=NN(C)c2ccc(OC)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline?
The InChIKey is LVYWFLRFICXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-5-23(6-2)17-8-7-15(19(20)13-17)14-21-22(3)16-9-11-18(24-4)12-10-16/h7-14H,5-6H2,1-4H3.
What are the key properties of 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline?
3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline has a molecular weight of 345.87 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline is sourced from PubChem (CID 54055519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).