N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine

C15H15N3S — CID 62971692

IUPACN-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine
SMILESCN(c1cccc(CN)c1)c1nccc2sccc12
InChIInChI=1S/C15H15N3S/c1-18(12-4-2-3-11(9-12)10-16)15-13-6-8-19-14(13)5-7-17-15/h2-9H,10,16H2,1H3
InChIKeyCKRQNOPESHCYOP-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.52
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine

N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine (PubChem CID 62971692) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine
PubChem CID62971692
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine
SMILESCN(c1cccc(CN)c1)c1nccc2sccc12
InChIInChI=1S/C15H15N3S/c1-18(12-4-2-3-11(9-12)10-16)15-13-6-8-19-14(13)5-7-17-15/h2-9H,10,16H2,1H3
InChIKeyCKRQNOPESHCYOP-UHFFFAOYSA-N
XLogP3.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine (CID 62971692) is N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine is CN(c1cccc(CN)c1)c1nccc2sccc12.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine?
The InChIKey is CKRQNOPESHCYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-18(12-4-2-3-11(9-12)10-16)15-13-6-8-19-14(13)5-7-17-15/h2-9H,10,16H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine?
N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 62971692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).