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

C13H16N2OS — CID 66386529

IUPAC2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine
SMILESCOCc1cccc(NCc2sccc2N)c1
InChIInChI=1S/C13H16N2OS/c1-16-9-10-3-2-4-11(7-10)15-8-13-12(14)5-6-17-13/h2-7,15H,8-9,14H2,1H3
InChIKeyXCPGKFNRKHPJIF-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.09
Rot. Bonds5

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

2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine (PubChem CID 66386529) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine
PubChem CID66386529
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine
SMILESCOCc1cccc(NCc2sccc2N)c1
InChIInChI=1S/C13H16N2OS/c1-16-9-10-3-2-4-11(7-10)15-8-13-12(14)5-6-17-13/h2-7,15H,8-9,14H2,1H3
InChIKeyXCPGKFNRKHPJIF-UHFFFAOYSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine
CID 66385340
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
N-[(5-bromothiophen-3-yl)methyl]-3-(methoxymethyl)aniline
CID 43672271
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
CID 70009939
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950
3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 66385538
3-(methoxymethyl)-N-methylaniline
CID 23080905

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine (CID 66386529) is 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine is COCc1cccc(NCc2sccc2N)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine?
The InChIKey is XCPGKFNRKHPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-9-10-3-2-4-11(7-10)15-8-13-12(14)5-6-17-13/h2-7,15H,8-9,14H2,1H3.
What are the key properties of 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine?
2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine has a molecular weight of 248.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).