4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine

C11H12BrNS — CID 130788319

IUPAC4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
SMILESCCc1cc2c(CBr)c(N)ccc2s1
InChIInChI=1S/C11H12BrNS/c1-2-7-5-8-9(6-12)10(13)3-4-11(8)14-7/h3-5H,2,6,13H2,1H3
InChIKeyZJEVKKZJVBXNRO-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.94
Rot. Bonds2

About 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine

4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine (PubChem CID 130788319) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
PubChem CID130788319
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
SMILESCCc1cc2c(CBr)c(N)ccc2s1
InChIInChI=1S/C11H12BrNS/c1-2-7-5-8-9(6-12)10(13)3-4-11(8)14-7/h3-5H,2,6,13H2,1H3
InChIKeyZJEVKKZJVBXNRO-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
CID 130792061
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
5-bromo-4-chloro-2-ethyl-1-benzothiophene
CID 131030854
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
CID 144783026
7-ethyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411414
6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
CID 130941761
2-ethyl-4-iodo-1-benzothiophene
CID 135322307
4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
2-amino-3-(bromomethyl)-1-benzothiophene-5-carbonitrile
CID 130792322
2-(bromomethyl)-7-methyl-1-benzothiophen-4-amine
CID 131075929

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine?
The IUPAC name of 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine (CID 130788319) is 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine.
What is the SMILES notation for 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine?
The canonical SMILES for 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine is CCc1cc2c(CBr)c(N)ccc2s1.
What is the InChIKey of 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine?
The InChIKey is ZJEVKKZJVBXNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-2-7-5-8-9(6-12)10(13)3-4-11(8)14-7/h3-5H,2,6,13H2,1H3.
What are the key properties of 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine?
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine has a molecular weight of 270.19 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine is sourced from PubChem (CID 130788319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).