N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

C12H19BrN2S — CID 63207619

IUPACN-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1sccc1Br
InChIInChI=1S/C12H19BrN2S/c1-14(7-8-15-5-2-3-6-15)10-12-11(13)4-9-16-12/h4,9H,2-3,5-8,10H2,1H3
InChIKeyCVEOXVXSRDBHMK-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.04
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 63207619) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID63207619
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1sccc1Br
InChIInChI=1S/C12H19BrN2S/c1-14(7-8-15-5-2-3-6-15)10-12-11(13)4-9-16-12/h4,9H,2-3,5-8,10H2,1H3
InChIKeyCVEOXVXSRDBHMK-UHFFFAOYSA-N
XLogP3.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine
CID 48542145
4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 63211102
N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55211598
N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62639959
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
4-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979704
5-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]aniline
CID 79712715
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 63456654
2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63208878
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211277

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (CID 63207619) is N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is CN(CCN1CCCC1)Cc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is CVEOXVXSRDBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-14(7-8-15-5-2-3-6-15)10-12-11(13)4-9-16-12/h4,9H,2-3,5-8,10H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 303.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 63207619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).