3-methoxy-5-(2-methylmorpholin-4-yl)aniline

C12H18N2O2 — CID 80726541

IUPAC3-methoxy-5-(2-methylmorpholin-4-yl)aniline
SMILESCOc1cc(N)cc(N2CCOC(C)C2)c1
InChIInChI=1S/C12H18N2O2/c1-9-8-14(3-4-16-9)11-5-10(13)6-12(7-11)15-2/h5-7,9H,3-4,8,13H2,1-2H3
InChIKeyWONLYEXVHQJQLD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.50
Rot. Bonds2

About 3-methoxy-5-(2-methylmorpholin-4-yl)aniline

3-methoxy-5-(2-methylmorpholin-4-yl)aniline (PubChem CID 80726541) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methoxy-5-(2-methylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name3-methoxy-5-(2-methylmorpholin-4-yl)aniline
PubChem CID80726541
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-methoxy-5-(2-methylmorpholin-4-yl)aniline
SMILESCOc1cc(N)cc(N2CCOC(C)C2)c1
InChIInChI=1S/C12H18N2O2/c1-9-8-14(3-4-16-9)11-5-10(13)6-12(7-11)15-2/h5-7,9H,3-4,8,13H2,1-2H3
InChIKeyWONLYEXVHQJQLD-UHFFFAOYSA-N
XLogP1.50
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.50
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

CID 81430
CID 81430
CID 74625
CID 74625
CID 20136253
CID 20136253
CID 2758473
CID 2758473
CID 218187
CID 218187
CID 55413
CID 55413
CID 66697
CID 66697
CID 21144261
CID 21144261
CID 742837
CID 742837
CID 24747003
CID 24747003
CID 18669088
CID 18669088
CID 21345773
CID 21345773

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-methylmorpholin-4-yl)aniline?
The IUPAC name of 3-methoxy-5-(2-methylmorpholin-4-yl)aniline (CID 80726541) is 3-methoxy-5-(2-methylmorpholin-4-yl)aniline.
What is the SMILES notation for 3-methoxy-5-(2-methylmorpholin-4-yl)aniline?
The canonical SMILES for 3-methoxy-5-(2-methylmorpholin-4-yl)aniline is COc1cc(N)cc(N2CCOC(C)C2)c1.
What is the InChIKey of 3-methoxy-5-(2-methylmorpholin-4-yl)aniline?
The InChIKey is WONLYEXVHQJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-8-14(3-4-16-9)11-5-10(13)6-12(7-11)15-2/h5-7,9H,3-4,8,13H2,1-2H3.
What are the key properties of 3-methoxy-5-(2-methylmorpholin-4-yl)aniline?
3-methoxy-5-(2-methylmorpholin-4-yl)aniline has a molecular weight of 222.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-methylmorpholin-4-yl)aniline is sourced from PubChem (CID 80726541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).