N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine

C16H20N2O — CID 66445596

IUPACN-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCn1cccc1CNC1COc2ccccc21
InChIInChI=1S/C16H20N2O/c1-2-9-18-10-5-6-13(18)11-17-15-12-19-16-8-4-3-7-14(15)16/h3-8,10,15,17H,2,9,11-12H2,1H3
InChIKeyCNUZBEVRHWSUFT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.12
Rot. Bonds5

About N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine

N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 66445596) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID66445596
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCn1cccc1CNC1COc2ccccc21
InChIInChI=1S/C16H20N2O/c1-2-9-18-10-5-6-13(18)11-17-15-12-19-16-8-4-3-7-14(15)16/h3-8,10,15,17H,2,9,11-12H2,1H3
InChIKeyCNUZBEVRHWSUFT-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 66445596) is N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine is CCCn1cccc1CNC1COc2ccccc21.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is CNUZBEVRHWSUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-9-18-10-5-6-13(18)11-17-15-12-19-16-8-4-3-7-14(15)16/h3-8,10,15,17H,2,9,11-12H2,1H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 256.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 66445596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).