2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline

C14H17NS — CID 115749452

IUPAC2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccsc1CNc1c(C)cccc1C
InChIInChI=1S/C14H17NS/c1-10-7-8-16-13(10)9-15-14-11(2)5-4-6-12(14)3/h4-8,15H,9H2,1-3H3
InChIKeyLSJFEIRACQHULG-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.29
Rot. Bonds3

About 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline

2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline (PubChem CID 115749452) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
PubChem CID115749452
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccsc1CNc1c(C)cccc1C
InChIInChI=1S/C14H17NS/c1-10-7-8-16-13(10)9-15-14-11(2)5-4-6-12(14)3/h4-8,15H,9H2,1-3H3
InChIKeyLSJFEIRACQHULG-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 63449338
2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 79017119
2-chloro-N-[(3-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)aniline
CID 28950688
2-fluoro-N-[(3-methylthiophen-2-yl)methyl]-6-nitroaniline
CID 81310346
2,3-dichloro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 29033859
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384810
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426
2-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 107112314
3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
CID 34013980
N-[(3-methylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204399
1,1-dimethyl-2-[(3-methylthiophen-2-yl)methyl]hydrazine
CID 83003822
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79003136

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline (CID 115749452) is 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline is Cc1ccsc1CNc1c(C)cccc1C.
What is the InChIKey of 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline?
The InChIKey is LSJFEIRACQHULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-7-8-16-13(10)9-15-14-11(2)5-4-6-12(14)3/h4-8,15H,9H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline?
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline has a molecular weight of 231.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 115749452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).