N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine

C15H19NO — CID 81047329

IUPACN-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(C)c2c(CCNC3CC3)coc2c1
InChIInChI=1S/C15H19NO/c1-10-7-11(2)15-12(9-17-14(15)8-10)5-6-16-13-3-4-13/h7-9,13,16H,3-6H2,1-2H3
InChIKeyCYVVFQLRWLKKIN-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.34
Rot. Bonds4

About N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine

N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine (PubChem CID 81047329) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
PubChem CID81047329
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(C)c2c(CCNC3CC3)coc2c1
InChIInChI=1S/C15H19NO/c1-10-7-11(2)15-12(9-17-14(15)8-10)5-6-16-13-3-4-13/h7-9,13,16H,3-6H2,1-2H3
InChIKeyCYVVFQLRWLKKIN-UHFFFAOYSA-N
XLogP3.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81049360
N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 107669916
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine
CID 82475603
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
CID 154901400
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118462
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine
CID 21472067
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
CID 60837123

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine (CID 81047329) is N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine is Cc1cc(C)c2c(CCNC3CC3)coc2c1.
What is the InChIKey of N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The InChIKey is CYVVFQLRWLKKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-7-11(2)15-12(9-17-14(15)8-10)5-6-16-13-3-4-13/h7-9,13,16H,3-6H2,1-2H3.
What are the key properties of N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine has a molecular weight of 229.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 81047329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).