4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline

C22H27N3O2 — CID 44603601

IUPAC4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
SMILESCOc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C22H27N3O2/c1-26-20-8-6-19(7-9-20)23-16-18-17-25(22-5-3-2-4-21(18)22)11-10-24-12-14-27-15-13-24/h2-9,17,23H,10-16H2,1H3
InChIKeyQEKAITOYZPOLHY-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.59
Rot. Bonds7

About 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline

4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline (PubChem CID 44603601) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
PubChem CID44603601
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
SMILESCOc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C22H27N3O2/c1-26-20-8-6-19(7-9-20)23-16-18-17-25(22-5-3-2-4-21(18)22)11-10-24-12-14-27-15-13-24/h2-9,17,23H,10-16H2,1H3
InChIKeyQEKAITOYZPOLHY-UHFFFAOYSA-N
XLogP3.59
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline (CID 44603601) is 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline is COc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The InChIKey is QEKAITOYZPOLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-26-20-8-6-19(7-9-20)23-16-18-17-25(22-5-3-2-4-21(18)22)11-10-24-12-14-27-15-13-24/h2-9,17,23H,10-16H2,1H3.
What are the key properties of 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline has a molecular weight of 365.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline is sourced from PubChem (CID 44603601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).