(2-ethyl-1-benzothiophen-6-yl)methanamine

C11H13NS — CID 84663632

IUPAC(2-ethyl-1-benzothiophen-6-yl)methanamine
SMILESCCc1cc2ccc(CN)cc2s1
InChIInChI=1S/C11H13NS/c1-2-10-6-9-4-3-8(7-12)5-11(9)13-10/h3-6H,2,7,12H2,1H3
InChIKeySLWQUHYVLKBSNG-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.92
Rot. Bonds2

About (2-ethyl-1-benzothiophen-6-yl)methanamine

(2-ethyl-1-benzothiophen-6-yl)methanamine (PubChem CID 84663632) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (2-ethyl-1-benzothiophen-6-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-1-benzothiophen-6-yl)methanamine
PubChem CID84663632
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(2-ethyl-1-benzothiophen-6-yl)methanamine
SMILESCCc1cc2ccc(CN)cc2s1
InChIInChI=1S/C11H13NS/c1-2-10-6-9-4-3-8(7-12)5-11(9)13-10/h3-6H,2,7,12H2,1H3
InChIKeySLWQUHYVLKBSNG-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine
CID 117179712
2-(2-ethyl-1-benzothiophen-6-yl)acetic acid
CID 84685867
[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine
CID 117179697
[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine
CID 117176262
(2-cyclopropyl-1-benzothiophen-6-yl)methanamine
CID 84671842
6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol
CID 143318419
N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 117176292
2-[6-(bromomethyl)-1-benzothiophen-2-yl]ethanamine
CID 123200448
[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine
CID 117176290
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
6-chloro-2-ethyl-1-benzothiophen-5-amine
CID 130805171

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-benzothiophen-6-yl)methanamine?
The IUPAC name of (2-ethyl-1-benzothiophen-6-yl)methanamine (CID 84663632) is (2-ethyl-1-benzothiophen-6-yl)methanamine.
What is the SMILES notation for (2-ethyl-1-benzothiophen-6-yl)methanamine?
The canonical SMILES for (2-ethyl-1-benzothiophen-6-yl)methanamine is CCc1cc2ccc(CN)cc2s1.
What is the InChIKey of (2-ethyl-1-benzothiophen-6-yl)methanamine?
The InChIKey is SLWQUHYVLKBSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-10-6-9-4-3-8(7-12)5-11(9)13-10/h3-6H,2,7,12H2,1H3.
What are the key properties of (2-ethyl-1-benzothiophen-6-yl)methanamine?
(2-ethyl-1-benzothiophen-6-yl)methanamine has a molecular weight of 191.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-benzothiophen-6-yl)methanamine is sourced from PubChem (CID 84663632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).