N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine

C13H15NO — CID 18071242

IUPACN-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO/c1-9(14-11-6-7-11)13-8-10-4-2-3-5-12(10)15-13/h2-5,8-9,11,14H,6-7H2,1H3
InChIKeyVOGQGWJKDLAPKW-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.25
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine

N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine (PubChem CID 18071242) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
PubChem CID18071242
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO/c1-9(14-11-6-7-11)13-8-10-4-2-3-5-12(10)15-13/h2-5,8-9,11,14H,6-7H2,1H3
InChIKeyVOGQGWJKDLAPKW-UHFFFAOYSA-N
XLogP3.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
CID 62314222
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585216
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine
CID 97102496
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112553006
N-[1-(1-benzofuran-2-yl)ethyl]-5,5-dimethylthian-3-amine
CID 79959026
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 97103014
2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 55152162
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122011260
N-[1-(1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841258
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine (CID 18071242) is N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine is CC(NC1CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine?
The InChIKey is VOGQGWJKDLAPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(14-11-6-7-11)13-8-10-4-2-3-5-12(10)15-13/h2-5,8-9,11,14H,6-7H2,1H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine?
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine has a molecular weight of 201.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 18071242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).