N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride

C12H16ClNO — CID 70373280

IUPACN-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride
SMILESCCNc1cc2c(C)ccc(C)c2o1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-4-13-11-7-10-8(2)5-6-9(3)12(10)14-11;/h5-7,13H,4H2,1-3H3;1H
InChIKeyRKYSEDHQMSKBDB-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.90
Rot. Bonds2

About N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride

N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride (PubChem CID 70373280) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride
PubChem CID70373280
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride
SMILESCCNc1cc2c(C)ccc(C)c2o1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-4-13-11-7-10-8(2)5-6-9(3)12(10)14-11;/h5-7,13H,4H2,1-3H3;1H
InChIKeyRKYSEDHQMSKBDB-UHFFFAOYSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dimethyl-3-propylchromen-2-one
CID 138453827
N-ethyl-1-benzofuran-2-amine;hydrochloride
CID 23165634
N-ethyl-1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 102990713
2-(ethylamino)chromen-4-one
CID 86025135
1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol
CID 65439178
1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438491
1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438982
(7-chloro-4-methyl-1-benzofuran-2-yl)methanol
CID 65439177
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440223
N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440938
8-chloro-N-ethyl-5-methyl-3-propan-2-ylquinolin-2-amine
CID 107629224
methyl 4-[4-(4,7-dimethyl-1-benzofuran-2-yl)-4-hydroxybutanoyl]benzoate
CID 140993292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride?
The IUPAC name of N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride (CID 70373280) is N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride is CCNc1cc2c(C)ccc(C)c2o1.Cl.
What is the InChIKey of N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride?
The InChIKey is RKYSEDHQMSKBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-4-13-11-7-10-8(2)5-6-9(3)12(10)14-11;/h5-7,13H,4H2,1-3H3;1H.
What are the key properties of N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride?
N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,7-dimethyl-1-benzofuran-2-amine;hydrochloride is sourced from PubChem (CID 70373280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).