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

C22H27N3O — CID 44603604

IUPAC4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
SMILESCc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C22H27N3O/c1-18-6-8-20(9-7-18)23-16-19-17-25(22-5-3-2-4-21(19)22)11-10-24-12-14-26-15-13-24/h2-9,17,23H,10-16H2,1H3
InChIKeyYWSWVIOYJVPPEO-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.89
Rot. Bonds6

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

4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline (PubChem CID 44603604) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
PubChem CID44603604
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
SMILESCc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C22H27N3O/c1-18-6-8-20(9-7-18)23-16-19-17-25(22-5-3-2-4-21(19)22)11-10-24-12-14-26-15-13-24/h2-9,17,23H,10-16H2,1H3
InChIKeyYWSWVIOYJVPPEO-UHFFFAOYSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The IUPAC name of 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline (CID 44603604) is 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline.
What is the SMILES notation for 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The canonical SMILES for 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline is Cc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The InChIKey is YWSWVIOYJVPPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18-6-8-20(9-7-18)23-16-19-17-25(22-5-3-2-4-21(19)22)11-10-24-12-14-26-15-13-24/h2-9,17,23H,10-16H2,1H3.
What are the key properties of 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline has a molecular weight of 349.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline is sourced from PubChem (CID 44603604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).