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

C15H19NOS — CID 102847704

IUPAC2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCOCCc1ccccc1NCc1ccc(C)s1
InChIInChI=1S/C15H19NOS/c1-12-7-8-14(18-12)11-16-15-6-4-3-5-13(15)9-10-17-2/h3-8,16H,9-11H2,1-2H3
InChIKeyXPBXRJBGBUMINR-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.86
Rot. Bonds6

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

2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 102847704) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID102847704
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCOCCc1ccccc1NCc1ccc(C)s1
InChIInChI=1S/C15H19NOS/c1-12-7-8-14(18-12)11-16-15-6-4-3-5-13(15)9-10-17-2/h3-8,16H,9-11H2,1-2H3
InChIKeyXPBXRJBGBUMINR-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102903881
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102847648
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
CID 29041025
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 28615853
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid
CID 103268805

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 102847704) is 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline is COCCc1ccccc1NCc1ccc(C)s1.
What is the InChIKey of 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is XPBXRJBGBUMINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12-7-8-14(18-12)11-16-15-6-4-3-5-13(15)9-10-17-2/h3-8,16H,9-11H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline?
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 261.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 102847704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).