5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one

C18H20N2O2 — CID 82172043

IUPAC5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(C(N)COc3ccccc3)ccc21
InChIInChI=1S/C18H20N2O2/c1-2-20-17-9-8-13(10-14(17)11-18(20)21)16(19)12-22-15-6-4-3-5-7-15/h3-10,16H,2,11-12,19H2,1H3
InChIKeyGVKNKMHHMDPLQI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.67
Rot. Bonds5

About 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one

5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one (PubChem CID 82172043) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one
PubChem CID82172043
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(C(N)COc3ccccc3)ccc21
InChIInChI=1S/C18H20N2O2/c1-2-20-17-9-8-13(10-14(17)11-18(20)21)16(19)12-22-15-6-4-3-5-7-15/h3-10,16H,2,11-12,19H2,1H3
InChIKeyGVKNKMHHMDPLQI-UHFFFAOYSA-N
XLogP2.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one
CID 82172041
1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one
CID 82172045
1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172057
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 41342478
6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one
CID 82173906
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
1-ethyl-6-propan-2-yl-3H-indol-2-one
CID 134294019
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one (CID 82172043) is 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one is CCN1C(=O)Cc2cc(C(N)COc3ccccc3)ccc21.
What is the InChIKey of 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one?
The InChIKey is GVKNKMHHMDPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-20-17-9-8-13(10-14(17)11-18(20)21)16(19)12-22-15-6-4-3-5-7-15/h3-10,16H,2,11-12,19H2,1H3.
What are the key properties of 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one?
5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 82172043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).