N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine

C16H20N2O — CID 66406529

IUPACN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C16H20N2O/c1-2-17-10-13-7-8-18(11-13)12-15-9-14-5-3-4-6-16(14)19-15/h3-8,11,15,17H,2,9-10,12H2,1H3
InChIKeyQWLYTSJMUDQZKE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.60
Rot. Bonds5

About N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine

N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine (PubChem CID 66406529) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
PubChem CID66406529
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C16H20N2O/c1-2-17-10-13-7-8-18(11-13)12-15-9-14-5-3-4-6-16(14)19-15/h3-8,11,15,17H,2,9-10,12H2,1H3
InChIKeyQWLYTSJMUDQZKE-UHFFFAOYSA-N
XLogP2.60
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66404078
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79096943
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66399277
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104785
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
CID 79099405
N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 66365411
N-[[1-(oxan-4-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406332
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylimidazol-2-amine
CID 106569578
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720600
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine (CID 66406529) is N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine is CCNCc1ccn(CC2Cc3ccccc3O2)c1.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The InChIKey is QWLYTSJMUDQZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-17-10-13-7-8-18(11-13)12-15-9-14-5-3-4-6-16(14)19-15/h3-8,11,15,17H,2,9-10,12H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66406529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).