2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C12H19BrN2S — CID 63216262

IUPAC2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2S/c1-12(2)6-3-7-15(12)9(8-14)10-4-5-11(13)16-10/h4-5,9H,3,6-8,14H2,1-2H3
InChIKeyCWEHRVLTLVRLOB-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.38
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 63216262) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID63216262
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2S/c1-12(2)6-3-7-15(12)9(8-14)10-4-5-11(13)16-10/h4-5,9H,3,6-8,14H2,1-2H3
InChIKeyCWEHRVLTLVRLOB-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 63216262) is 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is CWEHRVLTLVRLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-12(2)6-3-7-15(12)9(8-14)10-4-5-11(13)16-10/h4-5,9H,3,6-8,14H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 303.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63216262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).