2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline

C15H21ClN4 — CID 63015017

IUPAC2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2nccn2C)c(Cl)c1
InChIInChI=1S/C15H21ClN4/c1-11(17-2)12-5-6-14(13(16)9-12)20(4)10-15-18-7-8-19(15)3/h5-9,11,17H,10H2,1-4H3
InChIKeyRVYXUXQDZZPWMR-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.99
Rot. Bonds5

About 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline

2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 63015017) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID63015017
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2nccn2C)c(Cl)c1
InChIInChI=1S/C15H21ClN4/c1-11(17-2)12-5-6-14(13(16)9-12)20(4)10-15-18-7-8-19(15)3/h5-9,11,17H,10H2,1-4H3
InChIKeyRVYXUXQDZZPWMR-UHFFFAOYSA-N
XLogP2.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)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

Related Compounds

2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63015018
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63369043
2-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63532231
2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62909903
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine
CID 82783396
(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 78941099
1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 114527299
2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 55181751
4-bromo-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 63013204
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 107083191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 63015017) is 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline is CNC(C)c1ccc(N(C)Cc2nccn2C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is RVYXUXQDZZPWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11(17-2)12-5-6-14(13(16)9-12)20(4)10-15-18-7-8-19(15)3/h5-9,11,17H,10H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline?
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 292.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 63015017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).