1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine

C12H11BrClNO2 — CID 117240114

IUPAC1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
SMILESNC(COc1cccc(Cl)c1)c1ccc(Br)o1
InChIInChI=1S/C12H11BrClNO2/c13-12-5-4-11(17-12)10(15)7-16-9-3-1-2-8(14)6-9/h1-6,10H,7,15H2
InChIKeyRKPCKPMJQIOPNX-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.77
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine

1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine (PubChem CID 117240114) has the molecular formula C12H11BrClNO2 and a molecular weight of 316.58 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
PubChem CID117240114
Molecular FormulaC12H11BrClNO2
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
SMILESNC(COc1cccc(Cl)c1)c1ccc(Br)o1
InChIInChI=1S/C12H11BrClNO2/c13-12-5-4-11(17-12)10(15)7-16-9-3-1-2-8(14)6-9/h1-6,10H,7,15H2
InChIKeyRKPCKPMJQIOPNX-UHFFFAOYSA-N
XLogP3.77
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 105184741
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
2-(3-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16784253
2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
CID 117240560

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine (CID 117240114) is 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine is NC(COc1cccc(Cl)c1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine?
The InChIKey is RKPCKPMJQIOPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2/c13-12-5-4-11(17-12)10(15)7-16-9-3-1-2-8(14)6-9/h1-6,10H,7,15H2.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine?
1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine has a molecular weight of 316.58 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine is sourced from PubChem (CID 117240114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).