2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline

C14H17NS — CID 28536769

IUPAC2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(NCc2ccc(C)s2)c(C)c1
InChIInChI=1S/C14H17NS/c1-10-4-7-14(11(2)8-10)15-9-13-6-5-12(3)16-13/h4-8,15H,9H2,1-3H3
InChIKeyZZSKTQSFMOCPNI-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.29
Rot. Bonds3

About 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline

2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 28536769) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID28536769
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(NCc2ccc(C)s2)c(C)c1
InChIInChI=1S/C14H17NS/c1-10-4-7-14(11(2)8-10)15-9-13-6-5-12(3)16-13/h4-8,15H,9H2,1-3H3
InChIKeyZZSKTQSFMOCPNI-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

2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
2-[5-[(2,4-dimethylanilino)methyl]thiophen-2-yl]acetic acid
CID 82894317
2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 103585292
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
N-[(4-bromothiophen-2-yl)methyl]-2,4-dimethylaniline
CID 28972836
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735583
6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
CID 104599923
4-bromo-2-chloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43347207
6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
CID 104600033
N-[(5-ethylthiophen-2-yl)methyl]-4-iodo-2-methylaniline
CID 63440748
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 28536769) is 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline is Cc1ccc(NCc2ccc(C)s2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is ZZSKTQSFMOCPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-4-7-14(11(2)8-10)15-9-13-6-5-12(3)16-13/h4-8,15H,9H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
2,4-dimethyl-N-[(5-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 2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 28536769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).