1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

C11H17BrN2O — CID 63263347

IUPAC1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccc(Br)o2)C1
InChIInChI=1S/C11H17BrN2O/c1-13-6-9-4-5-14(7-9)8-10-2-3-11(12)15-10/h2-3,9,13H,4-8H2,1H3
InChIKeyVNAGHDOVCUZYRO-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.08
Rot. Bonds4

About 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63263347) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63263347
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccc(Br)o2)C1
InChIInChI=1S/C11H17BrN2O/c1-13-6-9-4-5-14(7-9)8-10-2-3-11(12)15-10/h2-3,9,13H,4-8H2,1H3
InChIKeyVNAGHDOVCUZYRO-UHFFFAOYSA-N
XLogP2.08
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
N-methyl-1-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55168091
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922215
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 102841634
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62511459

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 63263347) is 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(Cc2ccc(Br)o2)C1.
What is the InChIKey of 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is VNAGHDOVCUZYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-13-6-9-4-5-14(7-9)8-10-2-3-11(12)15-10/h2-3,9,13H,4-8H2,1H3.
What are the key properties of 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 273.17 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63263347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).