2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline

C16H14ClNS2 — CID 66253055

IUPAC2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
SMILESCc1cccc(Cl)c1NC(c1cccs1)c1cccs1
InChIInChI=1S/C16H14ClNS2/c1-11-5-2-6-12(17)15(11)18-16(13-7-3-9-19-13)14-8-4-10-20-14/h2-10,16,18H,1H3
InChIKeyXKNRLJMTGCSLKJ-UHFFFAOYSA-N
MW319.88 g/mol
LogP5.97
Rot. Bonds4

About 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline

2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline (PubChem CID 66253055) has the molecular formula C16H14ClNS2 and a molecular weight of 319.88 g/mol. Its IUPAC name is 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
PubChem CID66253055
Molecular FormulaC16H14ClNS2
Molecular Weight319.88 g/mol
Exact Mass319.03
IUPAC Name2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
SMILESCc1cccc(Cl)c1NC(c1cccs1)c1cccs1
InChIInChI=1S/C16H14ClNS2/c1-11-5-2-6-12(17)15(11)18-16(13-7-3-9-19-13)14-8-4-10-20-14/h2-10,16,18H,1H3
InChIKeyXKNRLJMTGCSLKJ-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.88
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline 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-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
[(2-chloro-3-methylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105287597
2-chloro-6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 66252412
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
2-(2-chloro-6-methylanilino)propanamide
CID 66252713
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
CID 75512507
2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
CID 66251946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline?
The IUPAC name of 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline (CID 66253055) is 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline.
What is the SMILES notation for 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline?
The canonical SMILES for 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline is Cc1cccc(Cl)c1NC(c1cccs1)c1cccs1.
What is the InChIKey of 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline?
The InChIKey is XKNRLJMTGCSLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNS2/c1-11-5-2-6-12(17)15(11)18-16(13-7-3-9-19-13)14-8-4-10-20-14/h2-10,16,18H,1H3.
What are the key properties of 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline?
2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline has a molecular weight of 319.88 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline is sourced from PubChem (CID 66253055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).