N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine

C18H26N2O — CID 62422951

IUPACN-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
SMILESCCN(Cc1c(CNC(C)C)oc2ccccc12)C1CC1
InChIInChI=1S/C18H26N2O/c1-4-20(14-9-10-14)12-16-15-7-5-6-8-17(15)21-18(16)11-19-13(2)3/h5-8,13-14,19H,4,9-12H2,1-3H3
InChIKeyGVTZUWAJOHWPKV-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds7

About N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine

N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine (PubChem CID 62422951) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
PubChem CID62422951
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
SMILESCCN(Cc1c(CNC(C)C)oc2ccccc12)C1CC1
InChIInChI=1S/C18H26N2O/c1-4-20(14-9-10-14)12-16-15-7-5-6-8-17(15)21-18(16)11-19-13(2)3/h5-8,13-14,19H,4,9-12H2,1-3H3
InChIKeyGVTZUWAJOHWPKV-UHFFFAOYSA-N
XLogP3.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine (CID 62422951) is N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine is CCN(Cc1c(CNC(C)C)oc2ccccc12)C1CC1.
What is the InChIKey of N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine?
The InChIKey is GVTZUWAJOHWPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-20(14-9-10-14)12-16-15-7-5-6-8-17(15)21-18(16)11-19-13(2)3/h5-8,13-14,19H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine?
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62422951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).