2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine

C14H18N2OS — CID 66386371

IUPAC2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine
SMILESCCOCc1ccccc1NCc1sccc1N
InChIInChI=1S/C14H18N2OS/c1-2-17-10-11-5-3-4-6-13(11)16-9-14-12(15)7-8-18-14/h3-8,16H,2,9-10,15H2,1H3
InChIKeyHKMHKYHJLAVWLU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.48
Rot. Bonds6

About 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine

2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine (PubChem CID 66386371) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine
PubChem CID66386371
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine
SMILESCCOCc1ccccc1NCc1sccc1N
InChIInChI=1S/C14H18N2OS/c1-2-17-10-11-5-3-4-6-13(11)16-9-14-12(15)7-8-18-14/h3-8,16H,2,9-10,15H2,1H3
InChIKeyHKMHKYHJLAVWLU-UHFFFAOYSA-N
XLogP3.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
5-[[2-(ethoxymethyl)anilino]methyl]furan-2-carbonitrile
CID 115671175
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline
CID 43792111
2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 103720558
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine (CID 66386371) is 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine is CCOCc1ccccc1NCc1sccc1N.
What is the InChIKey of 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine?
The InChIKey is HKMHKYHJLAVWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-17-10-11-5-3-4-6-13(11)16-9-14-12(15)7-8-18-14/h3-8,16H,2,9-10,15H2,1H3.
What are the key properties of 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine?
2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine has a molecular weight of 262.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).