1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine

C14H13BrClNO2 — CID 105031502

IUPAC1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
SMILESNC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Br)o1
InChIInChI=1S/C14H13BrClNO2/c15-13-2-1-12(19-13)11(17)7-9-6-10(16)5-8-3-4-18-14(8)9/h1-2,5-6,11H,3-4,7,17H2
InChIKeyXVQUSTDPASKADN-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.87
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine

1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine (PubChem CID 105031502) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
PubChem CID105031502
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
SMILESNC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Br)o1
InChIInChI=1S/C14H13BrClNO2/c15-13-2-1-12(19-13)11(17)7-9-6-10(16)5-8-3-4-18-14(8)9/h1-2,5-6,11H,3-4,7,17H2
InChIKeyXVQUSTDPASKADN-UHFFFAOYSA-N
XLogP3.87
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 105031463
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968958
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114886812
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-thiophen-3-ylethanamine
CID 113403542
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 105031528
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105031533
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105178387
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 105178427

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine (CID 105031502) is 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine is NC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The InChIKey is XVQUSTDPASKADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c15-13-2-1-12(19-13)11(17)7-9-6-10(16)5-8-3-4-18-14(8)9/h1-2,5-6,11H,3-4,7,17H2.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine?
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine has a molecular weight of 342.62 g/mol, XLogP of 3.87, 3 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-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 105031502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).