5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine

C10H12ClNO — CID 82373084

IUPAC5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine
SMILESCc1c(N)c2c(c(C)c1Cl)CCO2
InChIInChI=1S/C10H12ClNO/c1-5-7-3-4-13-10(7)9(12)6(2)8(5)11/h3-4,12H2,1-2H3
InChIKeyBLLYIFMUFXPVDB-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.47
Rot. Bonds

About 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine

5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine (PubChem CID 82373084) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine
PubChem CID82373084
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine
SMILESCc1c(N)c2c(c(C)c1Cl)CCO2
InChIInChI=1S/C10H12ClNO/c1-5-7-3-4-13-10(7)9(12)6(2)8(5)11/h3-4,12H2,1-2H3
InChIKeyBLLYIFMUFXPVDB-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.47
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

3-Chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
5-chloro-2,2,4,6-tetramethyl-7-nitro-3H-1-benzofuran
CID 10978052
5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
CID 15269222
2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride
CID 19078585
2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine
CID 19078586
2-Chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
5-Chloro-2-ethoxy-3,6-dimethylaniline
CID 82266729
3-Chloro-2,5-dimethyl-6-propoxyaniline
CID 82266769
3-Chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide
CID 115193344
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
CID 115194440
5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline
CID 115258296

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine?
The IUPAC name of 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine (CID 82373084) is 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine?
The canonical SMILES for 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine is Cc1c(N)c2c(c(C)c1Cl)CCO2.
What is the InChIKey of 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine?
The InChIKey is BLLYIFMUFXPVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-5-7-3-4-13-10(7)9(12)6(2)8(5)11/h3-4,12H2,1-2H3.
What are the key properties of 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine?
5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine has a molecular weight of 197.66 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine is sourced from PubChem (CID 82373084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).