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

C11H12BrCl2NO — CID 107659790

IUPAC5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)NC1COc2c(Cl)cc(Br)c(Cl)c21
InChIInChI=1S/C11H12BrCl2NO/c1-5(2)15-8-4-16-11-7(13)3-6(12)10(14)9(8)11/h3,5,8,15H,4H2,1-2H3
InChIKeyUCNLQQHQVMJLDF-UHFFFAOYSA-N
MW325.03 g/mol
LogP4.19
Rot. Bonds2

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

5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107659790) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107659790
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC Name5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)NC1COc2c(Cl)cc(Br)c(Cl)c21
InChIInChI=1S/C11H12BrCl2NO/c1-5(2)15-8-4-16-11-7(13)3-6(12)10(14)9(8)11/h3,5,8,15H,4H2,1-2H3
InChIKeyUCNLQQHQVMJLDF-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine 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

5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659799
4-bromo-6,7-difluoro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107100730
5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 64719068
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779
7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512238
7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512082
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 60970604
N-[(5-bromo-4,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662984
5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 107100720
6-bromo-9-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107285280
6,8-dichloro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43621794
5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79415813

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (CID 107659790) is 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is CC(C)NC1COc2c(Cl)cc(Br)c(Cl)c21.
What is the InChIKey of 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is UCNLQQHQVMJLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-5(2)15-8-4-16-11-7(13)3-6(12)10(14)9(8)11/h3,5,8,15H,4H2,1-2H3.
What are the key properties of 5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 325.03 g/mol, XLogP of 4.19, 2 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-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107659790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).