1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one

C19H22N2O2 — CID 141032966

IUPAC1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1ccc(OCCNC2CC2)cc1
InChIInChI=1S/C19H22N2O2/c22-19-3-1-2-18-17(19)10-12-21(18)15-6-8-16(9-7-15)23-13-11-20-14-4-5-14/h6-10,12,14,20H,1-5,11,13H2
InChIKeyIEEHBRQXUIYYND-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.13
Rot. Bonds6

About 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one

1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 141032966) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
PubChem CID141032966
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1ccc(OCCNC2CC2)cc1
InChIInChI=1S/C19H22N2O2/c22-19-3-1-2-18-17(19)10-12-21(18)15-6-8-16(9-7-15)23-13-11-20-14-4-5-14/h6-10,12,14,20H,1-5,11,13H2
InChIKeyIEEHBRQXUIYYND-UHFFFAOYSA-N
XLogP3.13
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032974
1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032996
1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one
CID 10454770
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one
CID 58906605
1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one
CID 58906592
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one
CID 141032990
1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
CID 107801156
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one (CID 141032966) is 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2-c1ccc(OCCNC2CC2)cc1.
What is the InChIKey of 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is IEEHBRQXUIYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19-3-1-2-18-17(19)10-12-21(18)15-6-8-16(9-7-15)23-13-11-20-14-4-5-14/h6-10,12,14,20H,1-5,11,13H2.
What are the key properties of 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 310.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 141032966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).