2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine

C17H23NO — CID 105045508

IUPAC2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCNC(c1cc2cccc(C)c2o1)C(C)C1CC1
InChIInChI=1S/C17H23NO/c1-4-18-16(12(3)13-8-9-13)15-10-14-7-5-6-11(2)17(14)19-15/h5-7,10,12-13,16,18H,4,8-9H2,1-3H3
InChIKeyVFGNIBAUXQETAR-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.44
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine

2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 105045508) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID105045508
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCNC(c1cc2cccc(C)c2o1)C(C)C1CC1
InChIInChI=1S/C17H23NO/c1-4-18-16(12(3)13-8-9-13)15-10-14-7-5-6-11(2)17(14)19-15/h5-7,10,12-13,16,18H,4,8-9H2,1-3H3
InChIKeyVFGNIBAUXQETAR-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105045609
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105045567
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine
CID 114733597
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine (CID 105045508) is 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine is CCNC(c1cc2cccc(C)c2o1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is VFGNIBAUXQETAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-18-16(12(3)13-8-9-13)15-10-14-7-5-6-11(2)17(14)19-15/h5-7,10,12-13,16,18H,4,8-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 105045508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).