5-(2-methylpropyl)-2-morpholin-4-ylaniline

C14H22N2O — CID 18952283

IUPAC5-(2-methylpropyl)-2-morpholin-4-ylaniline
SMILESCC(C)Cc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C14H22N2O/c1-11(2)9-12-3-4-14(13(15)10-12)16-5-7-17-8-6-16/h3-4,10-11H,5-9,15H2,1-2H3
InChIKeyZJAVJHUFAHJZIQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.30
Rot. Bonds3

About 5-(2-methylpropyl)-2-morpholin-4-ylaniline

5-(2-methylpropyl)-2-morpholin-4-ylaniline (PubChem CID 18952283) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-morpholin-4-ylaniline
PubChem CID18952283
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-(2-methylpropyl)-2-morpholin-4-ylaniline
SMILESCC(C)Cc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C14H22N2O/c1-11(2)9-12-3-4-14(13(15)10-12)16-5-7-17-8-6-16/h3-4,10-11H,5-9,15H2,1-2H3
InChIKeyZJAVJHUFAHJZIQ-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-morpholin-4-ylaniline?
The IUPAC name of 5-(2-methylpropyl)-2-morpholin-4-ylaniline (CID 18952283) is 5-(2-methylpropyl)-2-morpholin-4-ylaniline.
What is the SMILES notation for 5-(2-methylpropyl)-2-morpholin-4-ylaniline?
The canonical SMILES for 5-(2-methylpropyl)-2-morpholin-4-ylaniline is CC(C)Cc1ccc(N2CCOCC2)c(N)c1.
What is the InChIKey of 5-(2-methylpropyl)-2-morpholin-4-ylaniline?
The InChIKey is ZJAVJHUFAHJZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)9-12-3-4-14(13(15)10-12)16-5-7-17-8-6-16/h3-4,10-11H,5-9,15H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-morpholin-4-ylaniline?
5-(2-methylpropyl)-2-morpholin-4-ylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-morpholin-4-ylaniline is sourced from PubChem (CID 18952283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).