N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine

C18H24N2S — CID 62128446

IUPACN-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCc3sccc3C2C)cc1C
InChIInChI=1S/C18H24N2S/c1-4-19-12-15-5-6-16(11-13(15)2)20-9-7-18-17(14(20)3)8-10-21-18/h5-6,8,10-11,14,19H,4,7,9,12H2,1-3H3
InChIKeyVPESIVJFMNBKIP-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.29
Rot. Bonds4

About N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine

N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine (PubChem CID 62128446) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine
PubChem CID62128446
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCc3sccc3C2C)cc1C
InChIInChI=1S/C18H24N2S/c1-4-19-12-15-5-6-16(11-13(15)2)20-9-7-18-17(14(20)3)8-10-21-18/h5-6,8,10-11,14,19H,4,7,9,12H2,1-3H3
InChIKeyVPESIVJFMNBKIP-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine (CID 62128446) is N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine is CCNCc1ccc(N2CCc3sccc3C2C)cc1C.
What is the InChIKey of N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine?
The InChIKey is VPESIVJFMNBKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-4-19-12-15-5-6-16(11-13(15)2)20-9-7-18-17(14(20)3)8-10-21-18/h5-6,8,10-11,14,19H,4,7,9,12H2,1-3H3.
What are the key properties of N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine?
N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62128446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).