1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole

C17H19NO — CID 65447093

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
SMILESCOc1ccc(CCC2NCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-19-15-9-6-13(7-10-15)8-11-17-16-5-3-2-4-14(16)12-18-17/h2-7,9-10,17-18H,8,11-12H2,1H3
InChIKeyKGNIPQCTXAQRBM-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole

1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole (PubChem CID 65447093) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
PubChem CID65447093
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
SMILESCOc1ccc(CCC2NCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-19-15-9-6-13(7-10-15)8-11-17-16-5-3-2-4-14(16)12-18-17/h2-7,9-10,17-18H,8,11-12H2,1H3
InChIKeyKGNIPQCTXAQRBM-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104616
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609
3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 106779338
1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole
CID 65046463
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731755
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731753
7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778860
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
1-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole
CID 115105193

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole (CID 65447093) is 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole is COc1ccc(CCC2NCc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole?
The InChIKey is KGNIPQCTXAQRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-15-9-6-13(7-10-15)8-11-17-16-5-3-2-4-14(16)12-18-17/h2-7,9-10,17-18H,8,11-12H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole?
1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole has a molecular weight of 253.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65447093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).