1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine

C16H20BrNS — CID 81141835

IUPAC1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine
SMILESNC(CC1CCCCC1)c1csc2c(Br)cccc12
InChIInChI=1S/C16H20BrNS/c17-14-8-4-7-12-13(10-19-16(12)14)15(18)9-11-5-2-1-3-6-11/h4,7-8,10-11,15H,1-3,5-6,9,18H2
InChIKeyMFQZIAOOHJUTAI-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.63
Rot. Bonds3

About 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine

1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine (PubChem CID 81141835) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine
PubChem CID81141835
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine
SMILESNC(CC1CCCCC1)c1csc2c(Br)cccc12
InChIInChI=1S/C16H20BrNS/c17-14-8-4-7-12-13(10-19-16(12)14)15(18)9-11-5-2-1-3-6-11/h4,7-8,10-11,15H,1-3,5-6,9,18H2
InChIKeyMFQZIAOOHJUTAI-UHFFFAOYSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3-(1-bromo-2-cyclohexylethyl)-1-benzothiophene
CID 81147613
7-bromo-3-(1-bromo-2-cyclobutylethyl)-1-benzothiophene
CID 103165984
(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
CID 81153438
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine
CID 81142140
(7-bromo-1-benzothiophen-3-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825350
1-(7-bromo-1-benzothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 81142132
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
CID 81141985
5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide
CID 81141780
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine?
The IUPAC name of 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine (CID 81141835) is 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine?
The canonical SMILES for 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine is NC(CC1CCCCC1)c1csc2c(Br)cccc12.
What is the InChIKey of 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine?
The InChIKey is MFQZIAOOHJUTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c17-14-8-4-7-12-13(10-19-16(12)14)15(18)9-11-5-2-1-3-6-11/h4,7-8,10-11,15H,1-3,5-6,9,18H2.
What are the key properties of 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine?
1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine has a molecular weight of 338.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine is sourced from PubChem (CID 81141835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).