3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline

C13H19ClN2 — CID 163241438

IUPAC3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline
SMILESCNc1cccc(Cl)c1N1CCCCC1C
InChIInChI=1S/C13H19ClN2/c1-10-6-3-4-9-16(10)13-11(14)7-5-8-12(13)15-2/h5,7-8,10,15H,3-4,6,9H2,1-2H3
InChIKeyYYCRLNIEQGUDAC-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.76
Rot. Bonds2

About 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline

3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline (PubChem CID 163241438) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline
PubChem CID163241438
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline
SMILESCNc1cccc(Cl)c1N1CCCCC1C
InChIInChI=1S/C13H19ClN2/c1-10-6-3-4-9-16(10)13-11(14)7-5-8-12(13)15-2/h5,7-8,10,15H,3-4,6,9H2,1-2H3
InChIKeyYYCRLNIEQGUDAC-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)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-methyl-2-(2-methylpiperidin-1-yl)aniline?
The IUPAC name of 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline (CID 163241438) is 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline?
The canonical SMILES for 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline is CNc1cccc(Cl)c1N1CCCCC1C.
What is the InChIKey of 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline?
The InChIKey is YYCRLNIEQGUDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-6-3-4-9-16(10)13-11(14)7-5-8-12(13)15-2/h5,7-8,10,15H,3-4,6,9H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline?
3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline has a molecular weight of 238.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 163241438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).