N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

C17H22N2S — CID 81327053

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCc1cccc(CNC(C)c2cc3c(s2)CCCC3)n1
InChIInChI=1S/C17H22N2S/c1-12-6-5-8-15(19-12)11-18-13(2)17-10-14-7-3-4-9-16(14)20-17/h5-6,8,10,13,18H,3-4,7,9,11H2,1-2H3
InChIKeyGCHLCQSODZRBFQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.18
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 81327053) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
PubChem CID81327053
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCc1cccc(CNC(C)c2cc3c(s2)CCCC3)n1
InChIInChI=1S/C17H22N2S/c1-12-6-5-8-15(19-12)11-18-13(2)17-10-14-7-3-4-9-16(14)20-17/h5-6,8,10,13,18H,3-4,7,9,11H2,1-2H3
InChIKeyGCHLCQSODZRBFQ-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine with MolForge

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81344827
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethanol
CID 81302192
3,3,3-trifluoro-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 81344023
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845
1-(3-bromothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55057431
N-[3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 103776584
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115712995
1,1,1-trifluoro-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]propan-2-ol
CID 103778647
2-[[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 81339392

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (CID 81327053) is N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is Cc1cccc(CNC(C)c2cc3c(s2)CCCC3)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is GCHLCQSODZRBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12-6-5-8-15(19-12)11-18-13(2)17-10-14-7-3-4-9-16(14)20-17/h5-6,8,10,13,18H,3-4,7,9,11H2,1-2H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 81327053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).