N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine

C14H18BrNS — CID 81049656

IUPACN-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1csc2ccc(Br)cc12
InChIInChI=1S/C14H18BrNS/c1-14(2,3)16-7-6-10-9-17-13-5-4-11(15)8-12(10)13/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyJALRMCIQJGFIES-UHFFFAOYSA-N
MW312.28 g/mol
LogP4.59
Rot. Bonds3

About N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 81049656) has the molecular formula C14H18BrNS and a molecular weight of 312.28 g/mol. Its IUPAC name is N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID81049656
Molecular FormulaC14H18BrNS
Molecular Weight312.28 g/mol
Exact Mass311.03
IUPAC NameN-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1csc2ccc(Br)cc12
InChIInChI=1S/C14H18BrNS/c1-14(2,3)16-7-6-10-9-17-13-5-4-11(15)8-12(10)13/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyJALRMCIQJGFIES-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]propan-1-amine
CID 81048729
N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2,2,2-trifluoroacetamide
CID 11725534
5-bromo-3-ethyl-1-benzothiophene
CID 11708535
(5-bromo-1-benzothiophen-3-yl)methyl-diethylazanium
CID 6947550
(5-bromo-1-benzothiophen-3-yl)methyl-(2-hydroxyethyl)-methylazanium
CID 6947090
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
5-bromo-3-prop-2-enyl-1-benzothiophene
CID 154710400
5-bromo-3-[(sulfinoamino)methyl]-1-benzothiophene
CID 68984698
N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
CID 81047617
3-(5-bromo-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117120735
2-[2-(1-benzothiophen-3-yl)ethylamino]-2-methylpropanenitrile
CID 115129637
(5-bromo-1-benzothiophen-3-yl)methyl-ethyl-(2-hydroxyethyl)azanium
CID 6947057

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine (CID 81049656) is N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1csc2ccc(Br)cc12.
What is the InChIKey of N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is JALRMCIQJGFIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNS/c1-14(2,3)16-7-6-10-9-17-13-5-4-11(15)8-12(10)13/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 312.28 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81049656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).