[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine

C11H14N2S — CID 117170768

IUPAC[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine
SMILESCNCc1csc2cccc(CN)c12
InChIInChI=1S/C11H14N2S/c1-13-6-9-7-14-10-4-2-3-8(5-12)11(9)10/h2-4,7,13H,5-6,12H2,1H3
InChIKeyULBXGYRDJDBFLQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.08
Rot. Bonds3

About [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine

[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine (PubChem CID 117170768) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine.

Molecular Properties

Compound Name[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine
PubChem CID117170768
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine
SMILESCNCc1csc2cccc(CN)c12
InChIInChI=1S/C11H14N2S/c1-13-6-9-7-14-10-4-2-3-8(5-12)11(9)10/h2-4,7,13H,5-6,12H2,1H3
InChIKeyULBXGYRDJDBFLQ-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
CID 117170804
[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117170781
4-(aminomethyl)-1-benzothiophene-3-carboxylic acid
CID 84779594
N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117184526
1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952256
3-(methylaminomethyl)-1-benzothiophen-6-amine
CID 117178025
3-(4-bromo-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117194851
[3-(methylaminomethyl)-1H-indol-7-yl]methanamine
CID 117181665
3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
CID 117170816
1-(2-iodo-3-methylphenyl)-N-methylmethanamine
CID 15288422
3-(2-aminopropyl)-1-benzothiophen-4-ol
CID 117119334
3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
CID 117119291

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine?
The IUPAC name of [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine (CID 117170768) is [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine.
What is the SMILES notation for [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine?
The canonical SMILES for [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine is CNCc1csc2cccc(CN)c12.
What is the InChIKey of [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine?
The InChIKey is ULBXGYRDJDBFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13-6-9-7-14-10-4-2-3-8(5-12)11(9)10/h2-4,7,13H,5-6,12H2,1H3.
What are the key properties of [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine?
[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine has a molecular weight of 206.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine is sourced from PubChem (CID 117170768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).