2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine

C12H11BrClNO — CID 106687863

IUPAC2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1ccoc1Cl
InChIInChI=1S/C12H11BrClNO/c13-9-3-1-2-8(6-9)7-11(15)10-4-5-16-12(10)14/h1-6,11H,7,15H2
InChIKeyUHQMXXRRZNBTKJ-UHFFFAOYSA-N
MW300.58 g/mol
LogP3.94
Rot. Bonds3

About 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine

2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine (PubChem CID 106687863) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
PubChem CID106687863
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1ccoc1Cl
InChIInChI=1S/C12H11BrClNO/c13-9-3-1-2-8(6-9)7-11(15)10-4-5-16-12(10)14/h1-6,11H,7,15H2
InChIKeyUHQMXXRRZNBTKJ-UHFFFAOYSA-N
XLogP3.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine
CID 106854711
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine
CID 63939977
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106857204
2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
CID 103137033
2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102811982

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine (CID 106687863) is 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine is NC(Cc1cccc(Br)c1)c1ccoc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine?
The InChIKey is UHQMXXRRZNBTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c13-9-3-1-2-8(6-9)7-11(15)10-4-5-16-12(10)14/h1-6,11H,7,15H2.
What are the key properties of 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine?
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine has a molecular weight of 300.58 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine is sourced from PubChem (CID 106687863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).