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

C16H26N2O2 — CID 43575089

IUPAC4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline
SMILESCCC1COC(C)CN1CCCOc1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-3-15-12-20-13(2)11-18(15)9-4-10-19-16-7-5-14(17)6-8-16/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyQXWRZMUSRNXGHH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.54
Rot. Bonds6

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

4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline (PubChem CID 43575089) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline.

Molecular Properties

Compound Name4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline
PubChem CID43575089
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline
SMILESCCC1COC(C)CN1CCCOc1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-3-15-12-20-13(2)11-18(15)9-4-10-19-16-7-5-14(17)6-8-16/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyQXWRZMUSRNXGHH-UHFFFAOYSA-N
XLogP2.54
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline?
The IUPAC name of 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline (CID 43575089) is 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline.
What is the SMILES notation for 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline?
The canonical SMILES for 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline is CCC1COC(C)CN1CCCOc1ccc(N)cc1.
What is the InChIKey of 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline?
The InChIKey is QXWRZMUSRNXGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-15-12-20-13(2)11-18(15)9-4-10-19-16-7-5-14(17)6-8-16/h5-8,13,15H,3-4,9-12,17H2,1-2H3.
What are the key properties of 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline?
4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline has a molecular weight of 278.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline is sourced from PubChem (CID 43575089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).