2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine

C12H20BrNOS — CID 103283048

IUPAC2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine
SMILESCCCC(C)COC(CN)c1cc(Br)cs1
InChIInChI=1S/C12H20BrNOS/c1-3-4-9(2)7-15-11(6-14)12-5-10(13)8-16-12/h5,8-9,11H,3-4,6-7,14H2,1-2H3
InChIKeyQNOINPUAMPCUFC-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine

2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine (PubChem CID 103283048) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine
PubChem CID103283048
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine
SMILESCCCC(C)COC(CN)c1cc(Br)cs1
InChIInChI=1S/C12H20BrNOS/c1-3-4-9(2)7-15-11(6-14)12-5-10(13)8-16-12/h5,8-9,11H,3-4,6-7,14H2,1-2H3
InChIKeyQNOINPUAMPCUFC-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105222482
1-(4-bromothiophen-2-yl)-2-propoxyethanamine
CID 79575561
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377
2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine
CID 63459385
2-(4-bromothiophen-2-yl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 63458594
N-[2-(4-bromophenyl)-2-(2-methylpentoxy)ethyl]propan-1-amine
CID 103285218
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082
4-bromo-2-pentan-3-ylthiophene
CID 82390181
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
CID 63269156

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine (CID 103283048) is 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine is CCCC(C)COC(CN)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine?
The InChIKey is QNOINPUAMPCUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-3-4-9(2)7-15-11(6-14)12-5-10(13)8-16-12/h5,8-9,11H,3-4,6-7,14H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine?
2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine has a molecular weight of 306.27 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine is sourced from PubChem (CID 103283048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).