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

C16H20N2O — CID 66399277

IUPAC1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C16H20N2O/c1-12(17)8-13-6-7-18(10-13)11-15-9-14-4-2-3-5-16(14)19-15/h2-7,10,12,15H,8-9,11,17H2,1H3
InChIKeyZSMMHPVYNIBRAE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.38
Rot. Bonds4

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

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine (PubChem CID 66399277) 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-2-amine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
PubChem CID66399277
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C16H20N2O/c1-12(17)8-13-6-7-18(10-13)11-15-9-14-4-2-3-5-16(14)19-15/h2-7,10,12,15H,8-9,11,17H2,1H3
InChIKeyZSMMHPVYNIBRAE-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404681
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]propan-1-amine
CID 79104785
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]-2-methylpropan-1-ol
CID 79096943
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
CID 79099405
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 66347219
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)-2-methylpyrrol-3-yl]methanamine
CID 114195982
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine (CID 66399277) is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(CC2Cc3ccccc3O2)c1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine?
The InChIKey is ZSMMHPVYNIBRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(17)8-13-6-7-18(10-13)11-15-9-14-4-2-3-5-16(14)19-15/h2-7,10,12,15H,8-9,11,17H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine?
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.38, 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-2-amine is sourced from PubChem (CID 66399277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).