N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine

C11H16BrNO — CID 54522261

IUPACN-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine
SMILESCC(Br)=CN(C)C(C)Cc1ccco1
InChIInChI=1S/C11H16BrNO/c1-9(12)8-13(3)10(2)7-11-5-4-6-14-11/h4-6,8,10H,7H2,1-3H3
InChIKeyYQQDZVMLVDESRZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.40
Rot. Bonds4

About N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine

N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine (PubChem CID 54522261) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine
PubChem CID54522261
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine
SMILESCC(Br)=CN(C)C(C)Cc1ccco1
InChIInChI=1S/C11H16BrNO/c1-9(12)8-13(3)10(2)7-11-5-4-6-14-11/h4-6,8,10H,7H2,1-3H3
InChIKeyYQQDZVMLVDESRZ-UHFFFAOYSA-N
XLogP3.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine?
The IUPAC name of N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine (CID 54522261) is N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine is CC(Br)=CN(C)C(C)Cc1ccco1.
What is the InChIKey of N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine?
The InChIKey is YQQDZVMLVDESRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-9(12)8-13(3)10(2)7-11-5-4-6-14-11/h4-6,8,10H,7H2,1-3H3.
What are the key properties of N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine?
N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine has a molecular weight of 258.16 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 54522261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).