2-[(5-bromofuran-2-yl)methylidene]butan-1-amine

C9H12BrNO — CID 79322611

IUPAC2-[(5-bromofuran-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(Br)o1)CN
InChIInChI=1S/C9H12BrNO/c1-2-7(6-11)5-8-3-4-9(10)12-8/h3-5H,2,6,11H2,1H3
InChIKeyOAAAUTWCOSSPCO-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.79
Rot. Bonds3

About 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine

2-[(5-bromofuran-2-yl)methylidene]butan-1-amine (PubChem CID 79322611) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylidene]butan-1-amine
PubChem CID79322611
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-[(5-bromofuran-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(Br)o1)CN
InChIInChI=1S/C9H12BrNO/c1-2-7(6-11)5-8-3-4-9(10)12-8/h3-5H,2,6,11H2,1H3
InChIKeyOAAAUTWCOSSPCO-UHFFFAOYSA-N
XLogP2.79
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79323180
2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79322193
2-[(4-bromophenyl)methylidene]butan-1-amine
CID 79323672
ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
CID 6298020
(2Z)-2-[(2,3,6-trichlorophenyl)methylidene]butan-1-amine
CID 79322402
2-[(4-methoxyphenyl)methylidene]butan-1-amine
CID 79321876
N-[(5-bromofuran-2-yl)methylidene]hydroxylamine
CID 844066
3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
CID 76872023
(2E)-2-[(5-bromofuran-2-yl)methylidene]-4,4,4-trifluorobutanal
CID 130182534
2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine
CID 79329162
2-[(4-ethoxyphenyl)methylidene]butan-1-amine
CID 79322388
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol
CID 79334632

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine (CID 79322611) is 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine is CCC(=Cc1ccc(Br)o1)CN.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine?
The InChIKey is OAAAUTWCOSSPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-2-7(6-11)5-8-3-4-9(10)12-8/h3-5H,2,6,11H2,1H3.
What are the key properties of 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine?
2-[(5-bromofuran-2-yl)methylidene]butan-1-amine has a molecular weight of 230.10 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79322611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).