N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine

C19H23N3S — CID 71871488

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
SMILESCCN(CC)Cc1ccccc1CNc1ccnc2ccsc12
InChIInChI=1S/C19H23N3S/c1-3-22(4-2)14-16-8-6-5-7-15(16)13-21-17-9-11-20-18-10-12-23-19(17)18/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)
InChIKeyGPRPWFFTDREQLD-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.75
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine

N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 71871488) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
PubChem CID71871488
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
SMILESCCN(CC)Cc1ccccc1CNc1ccnc2ccsc12
InChIInChI=1S/C19H23N3S/c1-3-22(4-2)14-16-8-6-5-7-15(16)13-21-17-9-11-20-18-10-12-23-19(17)18/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)
InChIKeyGPRPWFFTDREQLD-UHFFFAOYSA-N
XLogP4.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine (CID 71871488) is N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine is CCN(CC)Cc1ccccc1CNc1ccnc2ccsc12.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is GPRPWFFTDREQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-3-22(4-2)14-16-8-6-5-7-15(16)13-21-17-9-11-20-18-10-12-23-19(17)18/h5-12H,3-4,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine?
N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 325.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 71871488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).