3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline

C15H24N2O2 — CID 43575113

IUPAC3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline
SMILESCCC1COC(C)CN1Cc1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-14-10-19-11(2)8-17(14)9-12-7-13(16)5-6-15(12)18-3/h5-7,11,14H,4,8-10,16H2,1-3H3
InChIKeyXDMKKHCCNPSENO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds4

About 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline

3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline (PubChem CID 43575113) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline
PubChem CID43575113
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline
SMILESCCC1COC(C)CN1Cc1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-14-10-19-11(2)8-17(14)9-12-7-13(16)5-6-15(12)18-3/h5-7,11,14H,4,8-10,16H2,1-3H3
InChIKeyXDMKKHCCNPSENO-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 61424137
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82974433
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
CID 79995080
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 55075141
methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 104824362
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline
CID 43575089
methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 82969020
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340989
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline?
The IUPAC name of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline (CID 43575113) is 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline?
The canonical SMILES for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline is CCC1COC(C)CN1Cc1cc(N)ccc1OC.
What is the InChIKey of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline?
The InChIKey is XDMKKHCCNPSENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-14-10-19-11(2)8-17(14)9-12-7-13(16)5-6-15(12)18-3/h5-7,11,14H,4,8-10,16H2,1-3H3.
What are the key properties of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline?
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline has a molecular weight of 264.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 43575113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).