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

C25H27N3O — CID 44603602

IUPACN-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine
SMILESc1ccc2c(NCc3cn(CCN4CCOCC4)c4ccccc34)cccc2c1
InChIInChI=1S/C25H27N3O/c1-2-8-22-20(6-1)7-5-10-24(22)26-18-21-19-28(25-11-4-3-9-23(21)25)13-12-27-14-16-29-17-15-27/h1-11,19,26H,12-18H2
InChIKeyYFULTSSQUSDXAR-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.74
Rot. Bonds6

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

N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine (PubChem CID 44603602) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine
PubChem CID44603602
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine
SMILESc1ccc2c(NCc3cn(CCN4CCOCC4)c4ccccc34)cccc2c1
InChIInChI=1S/C25H27N3O/c1-2-8-22-20(6-1)7-5-10-24(22)26-18-21-19-28(25-11-4-3-9-23(21)25)13-12-27-14-16-29-17-15-27/h1-11,19,26H,12-18H2
InChIKeyYFULTSSQUSDXAR-UHFFFAOYSA-N
XLogP4.74
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine?
The IUPAC name of N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine (CID 44603602) is N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine.
What is the SMILES notation for N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine?
The canonical SMILES for N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine is c1ccc2c(NCc3cn(CCN4CCOCC4)c4ccccc34)cccc2c1.
What is the InChIKey of N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine?
The InChIKey is YFULTSSQUSDXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-2-8-22-20(6-1)7-5-10-24(22)26-18-21-19-28(25-11-4-3-9-23(21)25)13-12-27-14-16-29-17-15-27/h1-11,19,26H,12-18H2.
What are the key properties of N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine?
N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine has a molecular weight of 385.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]naphthalen-1-amine is sourced from PubChem (CID 44603602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).