N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine

C8H9BrClNO — CID 115745349

IUPACN-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CNCc1ccc(Br)o1
InChIInChI=1S/C8H9BrClNO/c1-6(10)4-11-5-7-2-3-8(9)12-7/h2-3,11H,1,4-5H2
InChIKeyVXXUUZZWSDCDSR-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.88
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine

N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine (PubChem CID 115745349) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine
PubChem CID115745349
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CNCc1ccc(Br)o1
InChIInChI=1S/C8H9BrClNO/c1-6(10)4-11-5-7-2-3-8(9)12-7/h2-3,11H,1,4-5H2
InChIKeyVXXUUZZWSDCDSR-UHFFFAOYSA-N
XLogP2.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 62523523
2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 16790036
2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115745353
N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 54881657
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
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1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926484
1-[[(5-bromofuran-2-yl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116857
1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
2-[(5-bromofuran-2-yl)methylamino]-2-oxoacetic acid
CID 131209047
5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103527615
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine (CID 115745349) is N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine is C=C(Cl)CNCc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine?
The InChIKey is VXXUUZZWSDCDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO/c1-6(10)4-11-5-7-2-3-8(9)12-7/h2-3,11H,1,4-5H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine?
N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine has a molecular weight of 250.52 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine is sourced from PubChem (CID 115745349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).