N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine

C9H12BrNO — CID 131089541

IUPACN-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine
SMILESCN(Cc1cc(Br)co1)C1CC1
InChIInChI=1S/C9H12BrNO/c1-11(8-2-3-8)5-9-4-7(10)6-12-9/h4,6,8H,2-3,5H2,1H3
InChIKeyCHTJWFJZPIQARF-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.64
Rot. Bonds3

About N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine

N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine (PubChem CID 131089541) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine
PubChem CID131089541
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC NameN-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine
SMILESCN(Cc1cc(Br)co1)C1CC1
InChIInChI=1S/C9H12BrNO/c1-11(8-2-3-8)5-9-4-7(10)6-12-9/h4,6,8H,2-3,5H2,1H3
InChIKeyCHTJWFJZPIQARF-UHFFFAOYSA-N
XLogP2.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine (CID 131089541) is N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine is CN(Cc1cc(Br)co1)C1CC1.
What is the InChIKey of N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine?
The InChIKey is CHTJWFJZPIQARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11(8-2-3-8)5-9-4-7(10)6-12-9/h4,6,8H,2-3,5H2,1H3.
What are the key properties of N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine?
N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine has a molecular weight of 230.10 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 131089541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).