2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine

C15H21N3OS — CID 66387140

IUPAC2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
SMILESCOc1ccc(CN(C)C)cc1NCc1sccc1N
InChIInChI=1S/C15H21N3OS/c1-18(2)10-11-4-5-14(19-3)13(8-11)17-9-15-12(16)6-7-20-15/h4-8,17H,9-10,16H2,1-3H3
InChIKeyYMSIGGOIIKMOTQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.01
Rot. Bonds6

About 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine

2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine (PubChem CID 66387140) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
PubChem CID66387140
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
SMILESCOc1ccc(CN(C)C)cc1NCc1sccc1N
InChIInChI=1S/C15H21N3OS/c1-18(2)10-11-4-5-14(19-3)13(8-11)17-9-15-12(16)6-7-20-15/h4-8,17H,9-10,16H2,1-3H3
InChIKeyYMSIGGOIIKMOTQ-UHFFFAOYSA-N
XLogP3.01
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine
CID 66385340
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
CID 66387695
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
CID 43686533
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096
6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol
CID 79782269
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66410939

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine (CID 66387140) is 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine is COc1ccc(CN(C)C)cc1NCc1sccc1N.
What is the InChIKey of 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine?
The InChIKey is YMSIGGOIIKMOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18(2)10-11-4-5-14(19-3)13(8-11)17-9-15-12(16)6-7-20-15/h4-8,17H,9-10,16H2,1-3H3.
What are the key properties of 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine?
2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine has a molecular weight of 291.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).