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

C13H20N2O — CID 91671939

IUPAC4-morpholin-4-yl-2-propan-2-ylaniline
SMILESCC(C)c1cc(N2CCOCC2)ccc1N
InChIInChI=1S/C13H20N2O/c1-10(2)12-9-11(3-4-13(12)14)15-5-7-16-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeySUUOZEFDZODPAS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds2

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

4-morpholin-4-yl-2-propan-2-ylaniline (PubChem CID 91671939) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-propan-2-ylaniline.

Molecular Properties

Compound Name4-morpholin-4-yl-2-propan-2-ylaniline
PubChem CID91671939
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-morpholin-4-yl-2-propan-2-ylaniline
SMILESCC(C)c1cc(N2CCOCC2)ccc1N
InChIInChI=1S/C13H20N2O/c1-10(2)12-9-11(3-4-13(12)14)15-5-7-16-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeySUUOZEFDZODPAS-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

2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline
CID 91671967
2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline
CID 178058840
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799
3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine
CID 117415712
2-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 142676470
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine
CID 114068845
2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one
CID 69161665

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-propan-2-ylaniline?
The IUPAC name of 4-morpholin-4-yl-2-propan-2-ylaniline (CID 91671939) is 4-morpholin-4-yl-2-propan-2-ylaniline.
What is the SMILES notation for 4-morpholin-4-yl-2-propan-2-ylaniline?
The canonical SMILES for 4-morpholin-4-yl-2-propan-2-ylaniline is CC(C)c1cc(N2CCOCC2)ccc1N.
What is the InChIKey of 4-morpholin-4-yl-2-propan-2-ylaniline?
The InChIKey is SUUOZEFDZODPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12-9-11(3-4-13(12)14)15-5-7-16-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3.
What are the key properties of 4-morpholin-4-yl-2-propan-2-ylaniline?
4-morpholin-4-yl-2-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 4-morpholin-4-yl-2-propan-2-ylaniline is sourced from PubChem (CID 91671939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).