N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine

C11H17BrN2S — CID 79384245

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine
SMILESCC1NCCC1CNCc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2S/c1-8-9(4-5-14-8)6-13-7-10-2-3-11(12)15-10/h2-3,8-9,13-14H,4-7H2,1H3
InChIKeyADHKAAQSQICTOF-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.60
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine (PubChem CID 79384245) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine
PubChem CID79384245
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine
SMILESCC1NCCC1CNCc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2S/c1-8-9(4-5-14-8)6-13-7-10-2-3-11(12)15-10/h2-3,8-9,13-14H,4-7H2,1H3
InChIKeyADHKAAQSQICTOF-UHFFFAOYSA-N
XLogP2.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 102894589
N-[(5-bromothiophen-2-yl)methyl]-1-cyclohex-3-en-1-ylmethanamine
CID 60744369
1-(2-methylpyrrolidin-3-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 79385143
N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
CID 143489271
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120575828
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine
CID 114421555
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921526
N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine
CID 79956952

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine (CID 79384245) is N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine is CC1NCCC1CNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine?
The InChIKey is ADHKAAQSQICTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-8-9(4-5-14-8)6-13-7-10-2-3-11(12)15-10/h2-3,8-9,13-14H,4-7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine has a molecular weight of 289.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 79384245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).