4-(2,6-dimethylmorpholin-4-yl)aniline

C12H18N2O — CID 2794566

IUPAC4-(2,6-dimethylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccc(N)cc2)CC(C)O1
InChIInChI=1S/C12H18N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8,13H2,1-2H3
InChIKeySMOGUURTGJUNNJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)aniline

4-(2,6-dimethylmorpholin-4-yl)aniline (PubChem CID 2794566) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)aniline
PubChem CID2794566
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccc(N)cc2)CC(C)O1
InChIInChI=1S/C12H18N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8,13H2,1-2H3
InChIKeySMOGUURTGJUNNJ-UHFFFAOYSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)aniline?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)aniline (CID 2794566) is 4-(2,6-dimethylmorpholin-4-yl)aniline.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)aniline?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)aniline is CC1CN(c2ccc(N)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)aniline?
The InChIKey is SMOGUURTGJUNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8,13H2,1-2H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)aniline?
4-(2,6-dimethylmorpholin-4-yl)aniline has a molecular weight of 206.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)aniline is sourced from PubChem (CID 2794566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).