2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline

C12H16ClNS — CID 107132202

IUPAC2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline
SMILESCc1cccc(Cl)c1NCC1CCSC1
InChIInChI=1S/C12H16ClNS/c1-9-3-2-4-11(13)12(9)14-7-10-5-6-15-8-10/h2-4,10,14H,5-8H2,1H3
InChIKeyAJNQWZBQBGHDMC-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.81
Rot. Bonds3

About 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline

2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline (PubChem CID 107132202) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline
PubChem CID107132202
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline
SMILESCc1cccc(Cl)c1NCC1CCSC1
InChIInChI=1S/C12H16ClNS/c1-9-3-2-4-11(13)12(9)14-7-10-5-6-15-8-10/h2-4,10,14H,5-8H2,1H3
InChIKeyAJNQWZBQBGHDMC-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107131832
2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
2,6-dichloro-N-(cyclopropylmethyl)aniline
CID 13174436
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
4-bromo-2-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107131146
3-chloro-2-[(thiolan-3-ylmethylamino)methyl]phenol
CID 107295498
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297738
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
ethyl 3-amino-2-(thiolan-3-ylmethylamino)benzoate
CID 107297989
4-chloro-3-methoxy-N-(thiolan-3-ylmethyl)aniline
CID 107268141
2-methyl-4-(thiolan-3-ylmethylamino)phenol
CID 107132308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline?
The IUPAC name of 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline (CID 107132202) is 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline?
The canonical SMILES for 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline is Cc1cccc(Cl)c1NCC1CCSC1.
What is the InChIKey of 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline?
The InChIKey is AJNQWZBQBGHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-9-3-2-4-11(13)12(9)14-7-10-5-6-15-8-10/h2-4,10,14H,5-8H2,1H3.
What are the key properties of 2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline?
2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline has a molecular weight of 241.79 g/mol, XLogP of 3.81, 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-(thiolan-3-ylmethyl)aniline is sourced from PubChem (CID 107132202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).