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

C11H12BrCl2NO — CID 107659787

IUPAC5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(Cl)cc(Br)c(Cl)c2C1N
InChIInChI=1S/C11H12BrCl2NO/c1-2-3-7-10(15)8-9(14)5(12)4-6(13)11(8)16-7/h4,7,10H,2-3,15H2,1H3
InChIKeyMFUWZRQRKLJAQW-UHFFFAOYSA-N
MW325.03 g/mol
LogP4.32
Rot. Bonds2

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

5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107659787) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is 5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107659787
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC Name5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(Cl)cc(Br)c(Cl)c2C1N
InChIInChI=1S/C11H12BrCl2NO/c1-2-3-7-10(15)8-9(14)5(12)4-6(13)11(8)16-7/h4,7,10H,2-3,15H2,1H3
InChIKeyMFUWZRQRKLJAQW-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 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 ≤ 54.32
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

4,5,7-trichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048923
5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83050116
4,5,7-trichloro-2-ethyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663434
7-bromo-5-chloro-4-fluoro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 114042734
5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659799
5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83048227
5-bromo-7-chloro-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049820
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779
7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049829
5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662423
4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049836
6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049608

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 107659787) is 5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(Cl)cc(Br)c(Cl)c2C1N.
What is the InChIKey of 5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MFUWZRQRKLJAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-2-3-7-10(15)8-9(14)5(12)4-6(13)11(8)16-7/h4,7,10H,2-3,15H2,1H3.
What are the key properties of 5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-4,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 325.03 g/mol, XLogP of 4.32, 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-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107659787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).