1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

C14H23BrN2S — CID 63142700

IUPAC1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)Cc2cc(Br)cs2)CCNC1
InChIInChI=1S/C14H23BrN2S/c1-3-4-14(5-6-16-10-14)11-17(2)8-13-7-12(15)9-18-13/h7,9,16H,3-6,8,10-11H2,1-2H3
InChIKeyGOLPFLBUAMMDEP-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 63142700) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
PubChem CID63142700
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)Cc2cc(Br)cs2)CCNC1
InChIInChI=1S/C14H23BrN2S/c1-3-4-14(5-6-16-10-14)11-17(2)8-13-7-12(15)9-18-13/h7,9,16H,3-6,8,10-11H2,1-2H3
InChIKeyGOLPFLBUAMMDEP-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143134
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63534076
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143036
N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143069
N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 55167085
N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 65486941
N-methyl-1-(2-methylcyclopropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63859137
1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62271978
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 55165548
N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63705880
1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260251
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392031

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (CID 63142700) is 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is CCCC1(CN(C)Cc2cc(Br)cs2)CCNC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is GOLPFLBUAMMDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-3-4-14(5-6-16-10-14)11-17(2)8-13-7-12(15)9-18-13/h7,9,16H,3-6,8,10-11H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 331.32 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 63142700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).