[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine

C11H9BrClNO — CID 43347493

IUPAC[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C11H9BrClNO/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5H,6,14H2
InChIKeyYGMAVTXWKJLZEW-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.82
Rot. Bonds2

About [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine

[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine (PubChem CID 43347493) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine
PubChem CID43347493
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C11H9BrClNO/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5H,6,14H2
InChIKeyYGMAVTXWKJLZEW-UHFFFAOYSA-N
XLogP3.82
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 44522108
N-{[5-(4-bromo-2-chlorophenyl)-2-furyl]methyl}-N-(4-piperidylmethyl)amine
CID 16004286
{[5-(4-Bromo-2-chlorophenyl)-2-furyl]methyl}(piperidin-4-ylmethyl)amine dihydrochloride
CID 17151695
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17056209
[5-(4-Chlorophenyl)-2-furyl]methylamine
CID 2474281
(5-(4-Chlorophenyl)furan-2-yl)methanamine hydrochloride
CID 21311902
2-({[5-(4-Bromo-2-chlorophenyl)furan-2-yl]methyl}amino)ethanol
CID 6472668
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 17056223
2-[[5-(4-Bromo-2-chlorophenyl)furan-2-yl]methylamino]propane-1,3-diol
CID 171346852
[5-(4-Bromophenyl)furan-2-yl]methanamine
CID 16227286
[5-(4-Bromophenyl)furan-2-yl]methanamine hydrochloride
CID 16344810
[5-[2,6-Dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 142066600

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine?
The IUPAC name of [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine (CID 43347493) is [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine is NCc1ccc(-c2ccc(Br)cc2Cl)o1.
What is the InChIKey of [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine?
The InChIKey is YGMAVTXWKJLZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5H,6,14H2.
What are the key properties of [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine?
[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine has a molecular weight of 286.56 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine is sourced from PubChem (CID 43347493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).