7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C12H14BrClFNO2 — CID 114042734

IUPAC7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(Br)cc(Cl)c(F)c2C1NOC
InChIInChI=1S/C12H14BrClFNO2/c1-3-4-8-11(16-17-2)9-10(15)7(14)5-6(13)12(9)18-8/h5,8,11,16H,3-4H2,1-2H3
InChIKeyOIKLECRGGGYAKV-UHFFFAOYSA-N
MW338.60 g/mol
LogP3.99
Rot. Bonds4

About 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine

7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 114042734) has the molecular formula C12H14BrClFNO2 and a molecular weight of 338.60 g/mol. Its IUPAC name is 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID114042734
Molecular FormulaC12H14BrClFNO2
Molecular Weight338.60 g/mol
Exact Mass336.99
IUPAC Name7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(Br)cc(Cl)c(F)c2C1NOC
InChIInChI=1S/C12H14BrClFNO2/c1-3-4-8-11(16-17-2)9-10(15)7(14)5-6(13)12(9)18-8/h5,8,11,16H,3-4H2,1-2H3
InChIKeyOIKLECRGGGYAKV-UHFFFAOYSA-N
XLogP3.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-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

7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049829
5-bromo-7-chloro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049820
5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659787
5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667287
7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049513
2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659849
5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048927
5-chloro-2-ethyl-N-methoxy-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482097
4-bromo-2-ethyl-6,7-difluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107100728
4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049836
4,7-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83050209
5-bromo-6-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049038

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 114042734) is 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(Br)cc(Cl)c(F)c2C1NOC.
What is the InChIKey of 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OIKLECRGGGYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO2/c1-3-4-8-11(16-17-2)9-10(15)7(14)5-6(13)12(9)18-8/h5,8,11,16H,3-4H2,1-2H3.
What are the key properties of 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 338.60 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 114042734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).