2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline

C16H26N2O — CID 107274350

IUPAC2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline
SMILESCCC1COC(C)CN1CCCc1ccccc1N
InChIInChI=1S/C16H26N2O/c1-3-15-12-19-13(2)11-18(15)10-6-8-14-7-4-5-9-16(14)17/h4-5,7,9,13,15H,3,6,8,10-12,17H2,1-2H3
InChIKeyGAOIDVYNRRASKM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds5

About 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline

2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline (PubChem CID 107274350) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline.

Molecular Properties

Compound Name2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline
PubChem CID107274350
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline
SMILESCCC1COC(C)CN1CCCc1ccccc1N
InChIInChI=1S/C16H26N2O/c1-3-15-12-19-13(2)11-18(15)10-6-8-14-7-4-5-9-16(14)17/h4-5,7,9,13,15H,3,6,8,10-12,17H2,1-2H3
InChIKeyGAOIDVYNRRASKM-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline?
The IUPAC name of 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline (CID 107274350) is 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline.
What is the SMILES notation for 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline?
The canonical SMILES for 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline is CCC1COC(C)CN1CCCc1ccccc1N.
What is the InChIKey of 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline?
The InChIKey is GAOIDVYNRRASKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15-12-19-13(2)11-18(15)10-6-8-14-7-4-5-9-16(14)17/h4-5,7,9,13,15H,3,6,8,10-12,17H2,1-2H3.
What are the key properties of 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline?
2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline is sourced from PubChem (CID 107274350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).