N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine

C9H14BrNO — CID 64866203

IUPACN-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(Br)o1
InChIInChI=1S/C9H14BrNO/c1-7(2)11-6-5-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyLUSNZSMRAWSRMS-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine

N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine (PubChem CID 64866203) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine
PubChem CID64866203
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC NameN-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(Br)o1
InChIInChI=1S/C9H14BrNO/c1-7(2)11-6-5-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyLUSNZSMRAWSRMS-UHFFFAOYSA-N
XLogP2.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromofuran-2-yl)ethyl]-2-methylbutan-1-amine
CID 115887947
N-[2-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182190
2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine
CID 115732885
2-bromo-5-butylfuran
CID 59059059
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
2-(5-bromofuran-2-yl)ethylurea
CID 131153537
2-bromo-5-(2-chloroethyl)furan
CID 64867320
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 43181214
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol
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N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43180998

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine (CID 64866203) is N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine is CC(C)NCCc1ccc(Br)o1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine?
The InChIKey is LUSNZSMRAWSRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-7(2)11-6-5-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine?
N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine has a molecular weight of 232.12 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 64866203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).