1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine

C14H17NO — CID 117307014

IUPAC1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine
SMILESCc1coc2c(C3(C(C)N)CC3)cccc12
InChIInChI=1S/C14H17NO/c1-9-8-16-13-11(9)4-3-5-12(13)14(6-7-14)10(2)15/h3-5,8,10H,6-7,15H2,1-2H3
InChIKeyGKAMXYLXFHLUPA-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.12
Rot. Bonds2

About 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine

1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine (PubChem CID 117307014) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine
PubChem CID117307014
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine
SMILESCc1coc2c(C3(C(C)N)CC3)cccc12
InChIInChI=1S/C14H17NO/c1-9-8-16-13-11(9)4-3-5-12(13)14(6-7-14)10(2)15/h3-5,8,10H,6-7,15H2,1-2H3
InChIKeyGKAMXYLXFHLUPA-UHFFFAOYSA-N
XLogP3.12
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
7-(1-isocyanatocyclopentyl)-3-methyl-1-benzofuran
CID 117355279
1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine
CID 117449532
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine
CID 117335044
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
CID 117118334
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964
1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117360639

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine (CID 117307014) is 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine is Cc1coc2c(C3(C(C)N)CC3)cccc12.
What is the InChIKey of 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine?
The InChIKey is GKAMXYLXFHLUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-8-16-13-11(9)4-3-5-12(13)14(6-7-14)10(2)15/h3-5,8,10H,6-7,15H2,1-2H3.
What are the key properties of 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine?
1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117307014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).