5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine

C11H12BrCl2NO — CID 107659799

IUPAC5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2c(Cl)cc(Br)c(Cl)c21
InChIInChI=1S/C11H12BrCl2NO/c1-2-3-15-8-5-16-11-7(13)4-6(12)10(14)9(8)11/h4,8,15H,2-3,5H2,1H3
InChIKeyLXUDWEMAHUKHEN-UHFFFAOYSA-N
MW325.03 g/mol
LogP4.19
Rot. Bonds3

About 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine

5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107659799) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107659799
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC Name5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2c(Cl)cc(Br)c(Cl)c21
InChIInChI=1S/C11H12BrCl2NO/c1-2-3-15-8-5-16-11-7(13)4-6(12)10(14)9(8)11/h4,8,15H,2-3,5H2,1H3
InChIKeyLXUDWEMAHUKHEN-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107659790
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779
7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512702
6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 105400200
7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 54909810
9-bromo-7-chloro-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512564
5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659787
7-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511879
5-ethyl-7-methoxy-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667317
7-bromo-8-methyl-N-propyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417484
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64719518
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 107659799) is 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1COc2c(Cl)cc(Br)c(Cl)c21.
What is the InChIKey of 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is LXUDWEMAHUKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-2-3-15-8-5-16-11-7(13)4-6(12)10(14)9(8)11/h4,8,15H,2-3,5H2,1H3.
What are the key properties of 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 325.03 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107659799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).