1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C12H19BrN2S — CID 106318690

IUPAC1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2sccc2Br)C1
InChIInChI=1S/C12H19BrN2S/c1-12(8-14-2)4-5-15(9-12)7-11-10(13)3-6-16-11/h3,6,14H,4-5,7-9H2,1-2H3
InChIKeyFYXINFHLRSMEBC-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.94
Rot. Bonds4

About 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106318690) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106318690
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2sccc2Br)C1
InChIInChI=1S/C12H19BrN2S/c1-12(8-14-2)4-5-15(9-12)7-11-10(13)3-6-16-11/h3,6,14H,4-5,7-9H2,1-2H3
InChIKeyFYXINFHLRSMEBC-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305374
N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318625
1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318678
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318658
1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318622
1-[(3-bromothiophen-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148670
[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944
1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 114172884
N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine
CID 106318742
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62546532
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918697

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106318690) is 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(Cc2sccc2Br)C1.
What is the InChIKey of 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is FYXINFHLRSMEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-12(8-14-2)4-5-15(9-12)7-11-10(13)3-6-16-11/h3,6,14H,4-5,7-9H2,1-2H3.
What are the key properties of 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 303.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106318690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).