4-(2-methylpropoxy)-2-morpholin-4-ylaniline

C14H22N2O2 — CID 139208837

IUPAC4-(2-methylpropoxy)-2-morpholin-4-ylaniline
SMILESCC(C)COc1ccc(N)c(N2CCOCC2)c1
InChIInChI=1S/C14H22N2O2/c1-11(2)10-18-12-3-4-13(15)14(9-12)16-5-7-17-8-6-16/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyXHYYSPOFBXCWKH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds4

About 4-(2-methylpropoxy)-2-morpholin-4-ylaniline

4-(2-methylpropoxy)-2-morpholin-4-ylaniline (PubChem CID 139208837) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name4-(2-methylpropoxy)-2-morpholin-4-ylaniline
PubChem CID139208837
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(2-methylpropoxy)-2-morpholin-4-ylaniline
SMILESCC(C)COc1ccc(N)c(N2CCOCC2)c1
InChIInChI=1S/C14H22N2O2/c1-11(2)10-18-12-3-4-13(15)14(9-12)16-5-7-17-8-6-16/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyXHYYSPOFBXCWKH-UHFFFAOYSA-N
XLogP2.14
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
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

2-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylpropoxy)aniline
CID 139210609
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine
CID 154418389
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline
CID 154107073
methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate
CID 16654377
2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
CID 83988070
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110551489
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
5-methyl-2-morpholin-4-ylaniline
CID 18952141

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-2-morpholin-4-ylaniline?
The IUPAC name of 4-(2-methylpropoxy)-2-morpholin-4-ylaniline (CID 139208837) is 4-(2-methylpropoxy)-2-morpholin-4-ylaniline.
What is the SMILES notation for 4-(2-methylpropoxy)-2-morpholin-4-ylaniline?
The canonical SMILES for 4-(2-methylpropoxy)-2-morpholin-4-ylaniline is CC(C)COc1ccc(N)c(N2CCOCC2)c1.
What is the InChIKey of 4-(2-methylpropoxy)-2-morpholin-4-ylaniline?
The InChIKey is XHYYSPOFBXCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)10-18-12-3-4-13(15)14(9-12)16-5-7-17-8-6-16/h3-4,9,11H,5-8,10,15H2,1-2H3.
What are the key properties of 4-(2-methylpropoxy)-2-morpholin-4-ylaniline?
4-(2-methylpropoxy)-2-morpholin-4-ylaniline has a molecular weight of 250.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-2-morpholin-4-ylaniline is sourced from PubChem (CID 139208837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).