2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine

C12H15N3OS — CID 66385805

IUPAC2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine
SMILESCOc1cc(CNCc2sccc2N)ccn1
InChIInChI=1S/C12H15N3OS/c1-16-12-6-9(2-4-15-12)7-14-8-11-10(13)3-5-17-11/h2-6,14H,7-8,13H2,1H3
InChIKeyPXFSCXTWSWCFGN-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.02
Rot. Bonds5

About 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine

2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine (PubChem CID 66385805) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine
PubChem CID66385805
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine
SMILESCOc1cc(CNCc2sccc2N)ccn1
InChIInChI=1S/C12H15N3OS/c1-16-12-6-9(2-4-15-12)7-14-8-11-10(13)3-5-17-11/h2-6,14H,7-8,13H2,1H3
InChIKeyPXFSCXTWSWCFGN-UHFFFAOYSA-N
XLogP2.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62989679
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103250201
N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77030776
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60957794
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632
1-(2-methoxy-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267784

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine (CID 66385805) is 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine is COc1cc(CNCc2sccc2N)ccn1.
What is the InChIKey of 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine?
The InChIKey is PXFSCXTWSWCFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-16-12-6-9(2-4-15-12)7-14-8-11-10(13)3-5-17-11/h2-6,14H,7-8,13H2,1H3.
What are the key properties of 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine?
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine has a molecular weight of 249.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).