1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine

C16H20N2O — CID 79104785

IUPAC1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C16H20N2O/c1-2-15(17)13-7-8-18(10-13)11-14-9-12-5-3-4-6-16(12)19-14/h3-8,10,14-15H,2,9,11,17H2,1H3
InChIKeySNUCPEBLPBPRKW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.90
Rot. Bonds4

About 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79104785) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79104785
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C16H20N2O/c1-2-15(17)13-7-8-18(10-13)11-14-9-12-5-3-4-6-16(12)19-14/h3-8,10,14-15H,2,9,11,17H2,1H3
InChIKeySNUCPEBLPBPRKW-UHFFFAOYSA-N
XLogP2.90
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine 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]-2-methylpropan-1-ol
CID 79096943
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66399277
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
CID 79099405
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406529
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66404078
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
CID 114195982
1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79098968
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol
CID 79102300
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 66347219
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359620
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine (CID 79104785) is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine is CCC(N)c1ccn(CC2Cc3ccccc3O2)c1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is SNUCPEBLPBPRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-15(17)13-7-8-18(10-13)11-14-9-12-5-3-4-6-16(12)19-14/h3-8,10,14-15H,2,9,11,17H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).