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

C21H24ClN3O — CID 44603603

IUPAC4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
SMILESClc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C21H24ClN3O/c22-18-5-7-19(8-6-18)23-15-17-16-25(21-4-2-1-3-20(17)21)10-9-24-11-13-26-14-12-24/h1-8,16,23H,9-15H2
InChIKeyTVUIXGOGLUNYIU-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.24
Rot. Bonds6

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

4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline (PubChem CID 44603603) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
PubChem CID44603603
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
SMILESClc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C21H24ClN3O/c22-18-5-7-19(8-6-18)23-15-17-16-25(21-4-2-1-3-20(17)21)10-9-24-11-13-26-14-12-24/h1-8,16,23H,9-15H2
InChIKeyTVUIXGOGLUNYIU-UHFFFAOYSA-N
XLogP4.24
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline (CID 44603603) is 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline is Clc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
The InChIKey is TVUIXGOGLUNYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-18-5-7-19(8-6-18)23-15-17-16-25(21-4-2-1-3-20(17)21)10-9-24-11-13-26-14-12-24/h1-8,16,23H,9-15H2.
What are the key properties of 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline?
4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline has a molecular weight of 369.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline is sourced from PubChem (CID 44603603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).