N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline

C21H25N3O — CID 46866437

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline
SMILESc1ccc2c(CCNc3ccc(CN4CCOCC4)cc3)c[nH]c2c1
InChIInChI=1S/C21H25N3O/c1-2-4-21-20(3-1)18(15-23-21)9-10-22-19-7-5-17(6-8-19)16-24-11-13-25-14-12-24/h1-8,15,22-23H,9-14,16H2
InChIKeyUCTRCZYTETZMOI-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.65
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline

N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline (PubChem CID 46866437) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline
PubChem CID46866437
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline
SMILESc1ccc2c(CCNc3ccc(CN4CCOCC4)cc3)c[nH]c2c1
InChIInChI=1S/C21H25N3O/c1-2-4-21-20(3-1)18(15-23-21)9-10-22-19-7-5-17(6-8-19)16-24-11-13-25-14-12-24/h1-8,15,22-23H,9-14,16H2
InChIKeyUCTRCZYTETZMOI-UHFFFAOYSA-N
XLogP3.65
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline (CID 46866437) is N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline is c1ccc2c(CCNc3ccc(CN4CCOCC4)cc3)c[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is UCTRCZYTETZMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-4-21-20(3-1)18(15-23-21)9-10-22-19-7-5-17(6-8-19)16-24-11-13-25-14-12-24/h1-8,15,22-23H,9-14,16H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline?
N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 335.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 46866437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).