N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline

C20H26N2O — CID 171384405

IUPACN-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline
SMILESCN1CCOC(CCN(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H26N2O/c1-21-14-15-23-20(17-21)12-13-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3
InChIKeyQMCXTJDFPDFCFK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.41
Rot. Bonds6

About N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline

N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline (PubChem CID 171384405) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline
PubChem CID171384405
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline
SMILESCN1CCOC(CCN(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H26N2O/c1-21-14-15-23-20(17-21)12-13-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3
InChIKeyQMCXTJDFPDFCFK-UHFFFAOYSA-N
XLogP3.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline?
The IUPAC name of N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline (CID 171384405) is N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline.
What is the SMILES notation for N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline?
The canonical SMILES for N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline is CN1CCOC(CCN(Cc2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline?
The InChIKey is QMCXTJDFPDFCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21-14-15-23-20(17-21)12-13-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3.
What are the key properties of N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline?
N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline has a molecular weight of 310.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methylmorpholin-2-yl)ethyl]aniline is sourced from PubChem (CID 171384405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).