N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C16H21ClN2O — CID 66393175

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESClc1ccc2c(c1)CC(CNC1CCN3CCCC13)O2
InChIInChI=1S/C16H21ClN2O/c17-12-3-4-16-11(8-12)9-13(20-16)10-18-14-5-7-19-6-1-2-15(14)19/h3-4,8,13-15,18H,1-2,5-7,9-10H2
InChIKeyLKCKCXYICGWARV-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.47
Rot. Bonds3

About N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 66393175) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID66393175
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESClc1ccc2c(c1)CC(CNC1CCN3CCCC13)O2
InChIInChI=1S/C16H21ClN2O/c17-12-3-4-16-11(8-12)9-13(20-16)10-18-14-5-7-19-6-1-2-15(14)19/h3-4,8,13-15,18H,1-2,5-7,9-10H2
InChIKeyLKCKCXYICGWARV-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66392403
N-[(2,5-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65316441
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine
CID 66392019
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66362361
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclohexylethanamine
CID 66391635
5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one
CID 66393969
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418275
[(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 79036064
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106189567
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 66394124

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 66393175) is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Clc1ccc2c(c1)CC(CNC1CCN3CCCC13)O2.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is LKCKCXYICGWARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-12-3-4-16-11(8-12)9-13(20-16)10-18-14-5-7-19-6-1-2-15(14)19/h3-4,8,13-15,18H,1-2,5-7,9-10H2.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 292.81 g/mol, XLogP of 2.47, 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]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 66393175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).