5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline

C15H17ClN2S — CID 818024

IUPAC5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline
SMILESCN(C)Cc1ccccc1Sc1ccc(Cl)cc1N
InChIInChI=1S/C15H17ClN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
InChIKeyGAZPWELASOLBPG-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.14
Rot. Bonds4

About 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline

5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline (PubChem CID 818024) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline
PubChem CID818024
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline
SMILESCN(C)Cc1ccccc1Sc1ccc(Cl)cc1N
InChIInChI=1S/C15H17ClN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
InChIKeyGAZPWELASOLBPG-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline 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 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline?
The IUPAC name of 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline (CID 818024) is 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline.
What is the SMILES notation for 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline?
The canonical SMILES for 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline is CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline?
The InChIKey is GAZPWELASOLBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3.
What are the key properties of 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline?
5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline has a molecular weight of 292.84 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylaniline is sourced from PubChem (CID 818024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).