N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine

C14H19ClN2O — CID 66392403

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCC2Cc3cc(Cl)ccc3O2)C1
InChIInChI=1S/C14H19ClN2O/c1-17-5-4-12(9-17)16-8-13-7-10-6-11(15)2-3-14(10)18-13/h2-3,6,12-13,16H,4-5,7-9H2,1H3
InChIKeyJPLTWEXCVTZWGS-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.94
Rot. Bonds3

About N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 66392403) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID66392403
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCC2Cc3cc(Cl)ccc3O2)C1
InChIInChI=1S/C14H19ClN2O/c1-17-5-4-12(9-17)16-8-13-7-10-6-11(15)2-3-14(10)18-13/h2-3,6,12-13,16H,4-5,7-9H2,1H3
InChIKeyJPLTWEXCVTZWGS-UHFFFAOYSA-N
XLogP1.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine (CID 66392403) is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine is CN1CCC(NCC2Cc3cc(Cl)ccc3O2)C1.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is JPLTWEXCVTZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17-5-4-12(9-17)16-8-13-7-10-6-11(15)2-3-14(10)18-13/h2-3,6,12-13,16H,4-5,7-9H2,1H3.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 266.77 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 66392403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).