N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline

C25H27N3O — CID 141019971

IUPACN-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1ccc(N/C(=C2\CNc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O/c1-28(2)16-17-29-21-14-12-20(13-15-21)27-25(19-8-4-3-5-9-19)23-18-26-24-11-7-6-10-22(23)24/h3-15,26-27H,16-18H2,1-2H3/b25-23+
InChIKeyXUXOQFMYPSUOIY-WJTDDFOZSA-N
MW385.51 g/mol
LogP5.03
Rot. Bonds7

About N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline

N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline (PubChem CID 141019971) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
PubChem CID141019971
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1ccc(N/C(=C2\CNc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O/c1-28(2)16-17-29-21-14-12-20(13-15-21)27-25(19-8-4-3-5-9-19)23-18-26-24-11-7-6-10-22(23)24/h3-15,26-27H,16-18H2,1-2H3/b25-23+
InChIKeyXUXOQFMYPSUOIY-WJTDDFOZSA-N
XLogP5.03
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide
CID 12935403
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide
CID 42603085
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
4-[2-(dimethylamino)ethoxy]aniline;N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-diphenylpent-2-enamide;2,3-diphenylpent-2-enoic acid;hydrochloride
CID 158123714
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
(Z)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylprop-2-en-1-ol
CID 57407502
2-[4-[(Z)-4-bromo-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 13424658
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(3-hydroxyphenyl)-3-phenylpent-2-enamide
CID 68732761
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide
CID 68731126

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline (CID 141019971) is N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline is CN(C)CCOc1ccc(N/C(=C2\CNc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is XUXOQFMYPSUOIY-WJTDDFOZSA-N. The full InChI is InChI=1S/C25H27N3O/c1-28(2)16-17-29-21-14-12-20(13-15-21)27-25(19-8-4-3-5-9-19)23-18-26-24-11-7-6-10-22(23)24/h3-15,26-27H,16-18H2,1-2H3/b25-23+.
What are the key properties of N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline?
N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 385.51 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 141019971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).