[5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine

C14H19ClN2O — CID 117420780

IUPAC[5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C14H19ClN2O/c1-17-8-9(7-16)4-13(17)12-6-11(15)5-10-2-3-18-14(10)12/h5-6,9,13H,2-4,7-8,16H2,1H3
InChIKeyDRZQCLBFBPXOIQ-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.23
Rot. Bonds2

About [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117420780) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117420780
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C14H19ClN2O/c1-17-8-9(7-16)4-13(17)12-6-11(15)5-10-2-3-18-14(10)12/h5-6,9,13H,2-4,7-8,16H2,1H3
InChIKeyDRZQCLBFBPXOIQ-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117454617
[5-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117475471
[5-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117484465
[5-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117497798
[5-(5-chloro-2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117406206
[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117349921
[5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489756
[5-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117457691
[5-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1-methylpyrrolidin-3-yl]methanamine
CID 117472234
[5-(5-chloro-1,3-benzodioxol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117425247
[5-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117198
5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
CID 141158967

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117420780) is [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1cc(Cl)cc2c1OCC2.
What is the InChIKey of [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is DRZQCLBFBPXOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17-8-9(7-16)4-13(17)12-6-11(15)5-10-2-3-18-14(10)12/h5-6,9,13H,2-4,7-8,16H2,1H3.
What are the key properties of [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 266.77 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117420780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).