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

C14H17NS — CID 961667

IUPAC4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C14H17NS/c1-3-12-5-7-13(8-6-12)15-10-14-9-4-11(2)16-14/h4-9,15H,3,10H2,1-2H3
InChIKeyLVGFANAILVSSMV-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.23
Rot. Bonds4

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

4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 961667) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID961667
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C14H17NS/c1-3-12-5-7-13(8-6-12)15-10-14-9-4-11(2)16-14/h4-9,15H,3,10H2,1-2H3
InChIKeyLVGFANAILVSSMV-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 961667) is 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline is CCc1ccc(NCc2ccc(C)s2)cc1.
What is the InChIKey of 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is LVGFANAILVSSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-12-5-7-13(8-6-12)15-10-14-9-4-11(2)16-14/h4-9,15H,3,10H2,1-2H3.
What are the key properties of 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 231.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 961667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).