N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine

C20H22N2O2 — CID 67751439

IUPACN-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine
SMILESCOC1CCCN1c1ccc(N(C)c2occ3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-21(20-18-7-4-3-6-15(18)14-24-20)16-9-11-17(12-10-16)22-13-5-8-19(22)23-2/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3
InChIKeySHWXFICFLANGKQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.77
Rot. Bonds4

About N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine

N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine (PubChem CID 67751439) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine
PubChem CID67751439
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine
SMILESCOC1CCCN1c1ccc(N(C)c2occ3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-21(20-18-7-4-3-6-15(18)14-24-20)16-9-11-17(12-10-16)22-13-5-8-19(22)23-2/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3
InChIKeySHWXFICFLANGKQ-UHFFFAOYSA-N
XLogP4.77
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine?
The IUPAC name of N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine (CID 67751439) is N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine.
What is the SMILES notation for N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine?
The canonical SMILES for N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine is COC1CCCN1c1ccc(N(C)c2occ3ccccc23)cc1.
What is the InChIKey of N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine?
The InChIKey is SHWXFICFLANGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21(20-18-7-4-3-6-15(18)14-24-20)16-9-11-17(12-10-16)22-13-5-8-19(22)23-2/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3.
What are the key properties of N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine?
N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine has a molecular weight of 322.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxypyrrolidin-1-yl)phenyl]-N-methyl-2-benzofuran-1-amine is sourced from PubChem (CID 67751439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).