2-morpholin-4-yl-5-propan-2-ylaniline

C13H20N2O — CID 22752981

IUPAC2-morpholin-4-yl-5-propan-2-ylaniline
SMILESCC(C)c1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C13H20N2O/c1-10(2)11-3-4-13(12(14)9-11)15-5-7-16-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyFMCVDFIORLQLLP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds2

About 2-morpholin-4-yl-5-propan-2-ylaniline

2-morpholin-4-yl-5-propan-2-ylaniline (PubChem CID 22752981) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-morpholin-4-yl-5-propan-2-ylaniline
PubChem CID22752981
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-morpholin-4-yl-5-propan-2-ylaniline
SMILESCC(C)c1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C13H20N2O/c1-10(2)11-3-4-13(12(14)9-11)15-5-7-16-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyFMCVDFIORLQLLP-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
5-methyl-2-morpholin-4-ylaniline
CID 18952141
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
(S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol
CID 27261608
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline
CID 112737469
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
4-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline
CID 82105878
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
CID 117384370
prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate
CID 143243225

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-propan-2-ylaniline?
The IUPAC name of 2-morpholin-4-yl-5-propan-2-ylaniline (CID 22752981) is 2-morpholin-4-yl-5-propan-2-ylaniline.
What is the SMILES notation for 2-morpholin-4-yl-5-propan-2-ylaniline?
The canonical SMILES for 2-morpholin-4-yl-5-propan-2-ylaniline is CC(C)c1ccc(N2CCOCC2)c(N)c1.
What is the InChIKey of 2-morpholin-4-yl-5-propan-2-ylaniline?
The InChIKey is FMCVDFIORLQLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)11-3-4-13(12(14)9-11)15-5-7-16-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3.
What are the key properties of 2-morpholin-4-yl-5-propan-2-ylaniline?
2-morpholin-4-yl-5-propan-2-ylaniline has a molecular weight of 220.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-propan-2-ylaniline is sourced from PubChem (CID 22752981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).