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

C14H21NS — CID 107131832

IUPAC2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline
SMILESCCc1cccc(C)c1NCC1CCSC1
InChIInChI=1S/C14H21NS/c1-3-13-6-4-5-11(2)14(13)15-9-12-7-8-16-10-12/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyPALJCGCGAOIGIT-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.72
Rot. Bonds4

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

2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline (PubChem CID 107131832) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline
PubChem CID107131832
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline
SMILESCCc1cccc(C)c1NCC1CCSC1
InChIInChI=1S/C14H21NS/c1-3-13-6-4-5-11(2)14(13)15-9-12-7-8-16-10-12/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyPALJCGCGAOIGIT-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107132202
1-(2-methylphenyl)-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131856
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
4-bromo-2-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107131146
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
3-propan-2-yl-N-(thiolan-3-ylmethyl)aniline
CID 107131296
methyl 3-(thiolan-3-ylmethylamino)benzoate
CID 107131380
N-methyl-3-(thiolan-3-ylmethylamino)benzamide
CID 107131272
N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline
CID 63448569
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline?
The IUPAC name of 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline (CID 107131832) is 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline is CCc1cccc(C)c1NCC1CCSC1.
What is the InChIKey of 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline?
The InChIKey is PALJCGCGAOIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-3-13-6-4-5-11(2)14(13)15-9-12-7-8-16-10-12/h4-6,12,15H,3,7-10H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline?
2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline has a molecular weight of 235.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-(thiolan-3-ylmethyl)aniline is sourced from PubChem (CID 107131832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).