5-chloro-2,3-dihydro-1-benzofuran-7-amine

C8H8ClNO — CID 18997265

IUPAC5-chloro-2,3-dihydro-1-benzofuran-7-amine
SMILESNc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C8H8ClNO/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4H,1-2,10H2
InChIKeyBGQHRFTUXKQNRT-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.86
Rot. Bonds

About 5-chloro-2,3-dihydro-1-benzofuran-7-amine

5-chloro-2,3-dihydro-1-benzofuran-7-amine (PubChem CID 18997265) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1-benzofuran-7-amine.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1-benzofuran-7-amine
PubChem CID18997265
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name5-chloro-2,3-dihydro-1-benzofuran-7-amine
SMILESNc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C8H8ClNO/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4H,1-2,10H2
InChIKeyBGQHRFTUXKQNRT-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 91697
5-Chloro-2-(phenylmethoxy)benzenamine
CID 4779097
2,3-Dihydro-1-benzofuran-7-amine
CID 12805950
5-Chloro-7-nitro-2,3-dihydro-1-benzofuran
CID 18997244
5-Chloro-2-methoxy-3-methylaniline
CID 22997657
6-Chloro-2,3-dihydro-1-benzofuran-5-amine
CID 44191188
2-Methyl-2,3-dihydrobenzofuran-7-amine
CID 13535826
5-Chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline hydrochloride
CID 16245090
5-Chloro-2-(2-cyclohexylethoxy)aniline
CID 26189241
5-Chloro-2,3-dihydro-1-benzofuran-7-amine hydrochloride
CID 75422284
1-(5-Chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea
CID 75523780
5-Fluoro-2,3-dihydrobenzofuran-7-amine
CID 18414179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1-benzofuran-7-amine?
The IUPAC name of 5-chloro-2,3-dihydro-1-benzofuran-7-amine (CID 18997265) is 5-chloro-2,3-dihydro-1-benzofuran-7-amine.
What is the SMILES notation for 5-chloro-2,3-dihydro-1-benzofuran-7-amine?
The canonical SMILES for 5-chloro-2,3-dihydro-1-benzofuran-7-amine is Nc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-2,3-dihydro-1-benzofuran-7-amine?
The InChIKey is BGQHRFTUXKQNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4H,1-2,10H2.
What are the key properties of 5-chloro-2,3-dihydro-1-benzofuran-7-amine?
5-chloro-2,3-dihydro-1-benzofuran-7-amine has a molecular weight of 169.61 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1-benzofuran-7-amine is sourced from PubChem (CID 18997265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).