2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline

C13H14ClNS — CID 66253218

IUPAC2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2c(C)cccc2Cl)s1
InChIInChI=1S/C13H14ClNS/c1-9-4-3-5-12(14)13(9)15-8-11-7-6-10(2)16-11/h3-7,15H,8H2,1-2H3
InChIKeyUVTHNEBRCFUBRD-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline

2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 66253218) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID66253218
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2c(C)cccc2Cl)s1
InChIInChI=1S/C13H14ClNS/c1-9-4-3-5-12(14)13(9)15-8-11-7-6-10(2)16-11/h3-7,15H,8H2,1-2H3
InChIKeyUVTHNEBRCFUBRD-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28992364
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65467227
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
4-chloro-3-fluoro-2-N-[(5-methylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 114271108
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-chloro-6-methylaniline
CID 66252033
N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline
CID 106885395
2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 66251310
N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
CID 80703405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 66253218) is 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is Cc1ccc(CNc2c(C)cccc2Cl)s1.
What is the InChIKey of 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is UVTHNEBRCFUBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9-4-3-5-12(14)13(9)15-8-11-7-6-10(2)16-11/h3-7,15H,8H2,1-2H3.
What are the key properties of 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 251.78 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 66253218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).