3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline

C12H19ClN2 — CID 10421259

IUPAC3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline
SMILESCNC(C)Cc1ccc(N(C)C)cc1Cl
InChIInChI=1S/C12H19ClN2/c1-9(14-2)7-10-5-6-11(15(3)4)8-12(10)13/h5-6,8-9,14H,7H2,1-4H3
InChIKeyVLAALKUIXKASHK-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.56
Rot. Bonds4

About 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline

3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline (PubChem CID 10421259) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline
PubChem CID10421259
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline
SMILESCNC(C)Cc1ccc(N(C)C)cc1Cl
InChIInChI=1S/C12H19ClN2/c1-9(14-2)7-10-5-6-11(15(3)4)8-12(10)13/h5-6,8-9,14H,7H2,1-4H3
InChIKeyVLAALKUIXKASHK-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]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

4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
CID 3043609
(2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 124636589
4-(2-aminopropyl)-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114064849
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
4-[1-amino-2-(2-chloro-4-methylphenyl)ethyl]-N,N-dimethylaniline
CID 106867526
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335141
3-chloro-N,N,4-trimethylaniline
CID 12637287
4-[2-(methylamino)propyl]benzene-1,3-diol
CID 84732352
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline?
The IUPAC name of 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline (CID 10421259) is 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline.
What is the SMILES notation for 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline?
The canonical SMILES for 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline is CNC(C)Cc1ccc(N(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline?
The InChIKey is VLAALKUIXKASHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-9(14-2)7-10-5-6-11(15(3)4)8-12(10)13/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline?
3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline has a molecular weight of 226.75 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline is sourced from PubChem (CID 10421259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).