2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C14H20BrNS — CID 82686248

IUPAC2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESBrc1cc2c(s1)CCCC2NC1CCCCC1
InChIInChI=1S/C14H20BrNS/c15-14-9-11-12(7-4-8-13(11)17-14)16-10-5-2-1-3-6-10/h9-10,12,16H,1-8H2
InChIKeyZHQWTNJUMGQEJD-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.81
Rot. Bonds2

About 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82686248) has the molecular formula C14H20BrNS and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82686248
Molecular FormulaC14H20BrNS
Molecular Weight314.29 g/mol
Exact Mass313.05
IUPAC Name2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESBrc1cc2c(s1)CCCC2NC1CCCCC1
InChIInChI=1S/C14H20BrNS/c15-14-9-11-12(7-4-8-13(11)17-14)16-10-5-2-1-3-6-10/h9-10,12,16H,1-8H2
InChIKeyZHQWTNJUMGQEJD-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-N-(1,1-dioxothian-4-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686399
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]cyclobutan-1-ol
CID 82690357
2-bromo-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687386
2-bromo-N-(4-ethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689671
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrrolidin-3-amine
CID 82690392
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one
CID 82690207
2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252369
2-bromo-N-(2-cyclopentyloxyethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690126
N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 83910674
2-bromo-N-(4-bromo-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107571973
2-bromo-N-(3-bromophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687029
2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686258

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82686248) is 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is Brc1cc2c(s1)CCCC2NC1CCCCC1.
What is the InChIKey of 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is ZHQWTNJUMGQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNS/c15-14-9-11-12(7-4-8-13(11)17-14)16-10-5-2-1-3-6-10/h9-10,12,16H,1-8H2.
What are the key properties of 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 314.29 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82686248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).