N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine

C17H24ClNO2 — CID 114534332

IUPACN-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cc(Cl)cc3c2OCC3)CCOC1C
InChIInChI=1S/C17H24ClNO2/c1-3-19-11-17(5-7-20-12(17)2)10-14-9-15(18)8-13-4-6-21-16(13)14/h8-9,12,19H,3-7,10-11H2,1-2H3
InChIKeyFYSDJGWCMQDUSU-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.22
Rot. Bonds5

About N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine

N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine (PubChem CID 114534332) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
PubChem CID114534332
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC NameN-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cc(Cl)cc3c2OCC3)CCOC1C
InChIInChI=1S/C17H24ClNO2/c1-3-19-11-17(5-7-20-12(17)2)10-14-9-15(18)8-13-4-6-21-16(13)14/h8-9,12,19H,3-7,10-11H2,1-2H3
InChIKeyFYSDJGWCMQDUSU-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114858971
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 113381750
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564668
N-[[3-[(2,6-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534364
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)propan-2-one
CID 116562535
3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-amine
CID 114535376
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114933904
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 114534386
N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509663
N-[[3-[(2,5-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534688

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine (CID 114534332) is N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2cc(Cl)cc3c2OCC3)CCOC1C.
What is the InChIKey of N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine?
The InChIKey is FYSDJGWCMQDUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-19-11-17(5-7-20-12(17)2)10-14-9-15(18)8-13-4-6-21-16(13)14/h8-9,12,19H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine?
N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine has a molecular weight of 309.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 114534332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).