1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine

C13H22BrNS — CID 63891302

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ccc(Br)s1)CC(C)(C)C
InChIInChI=1S/C13H22BrNS/c1-5-15-10(9-13(2,3)4)8-11-6-7-12(14)16-11/h6-7,10,15H,5,8-9H2,1-4H3
InChIKeyJABDKGURMRFMBE-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.47
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine

1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 63891302) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID63891302
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ccc(Br)s1)CC(C)(C)C
InChIInChI=1S/C13H22BrNS/c1-5-15-10(9-13(2,3)4)8-11-6-7-12(14)16-11/h6-7,10,15H,5,8-9H2,1-4H3
InChIKeyJABDKGURMRFMBE-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 115601848
1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105134900
1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
CID 63890851
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
1-(5-bromothiophen-2-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063659
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
3-(5-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089490
[1-(5-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
2-(5-bromothiophen-2-yl)-N-ethyl-1-thiophen-3-ylethanamine
CID 62602638

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine (CID 63891302) is 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(Cc1ccc(Br)s1)CC(C)(C)C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is JABDKGURMRFMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-5-15-10(9-13(2,3)4)8-11-6-7-12(14)16-11/h6-7,10,15H,5,8-9H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 304.30 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 63891302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).