N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

C17H18N2S — CID 64828768

IUPACN-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCc1ccc(CNC(C)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C17H18N2S/c1-12-3-5-14(6-4-12)10-18-13(2)15-9-17-16(19-11-15)7-8-20-17/h3-9,11,13,18H,10H2,1-2H3
InChIKeyIXKCKEFZPCDIMI-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.46
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 64828768) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID64828768
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCc1ccc(CNC(C)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C17H18N2S/c1-12-3-5-14(6-4-12)10-18-13(2)15-9-17-16(19-11-15)7-8-20-17/h3-9,11,13,18H,10H2,1-2H3
InChIKeyIXKCKEFZPCDIMI-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64829615
methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate
CID 97230239
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374
2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144150
(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 97108445
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
CID 115765554

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 64828768) is N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is Cc1ccc(CNC(C)c2cnc3ccsc3c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is IXKCKEFZPCDIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-3-5-14(6-4-12)10-18-13(2)15-9-17-16(19-11-15)7-8-20-17/h3-9,11,13,18H,10H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 64828768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).