4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline

C15H24N2O2 — CID 43592366

IUPAC4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline
SMILESCC1(C)CN(CCCOc2ccc(N)cc2)CCO1
InChIInChI=1S/C15H24N2O2/c1-15(2)12-17(9-11-19-15)8-3-10-18-14-6-4-13(16)5-7-14/h4-7H,3,8-12,16H2,1-2H3
InChIKeyQFLRGXYGVSJDHQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds5

About 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline

4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline (PubChem CID 43592366) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline.

Molecular Properties

Compound Name4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline
PubChem CID43592366
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline
SMILESCC1(C)CN(CCCOc2ccc(N)cc2)CCO1
InChIInChI=1S/C15H24N2O2/c1-15(2)12-17(9-11-19-15)8-3-10-18-14-6-4-13(16)5-7-14/h4-7H,3,8-12,16H2,1-2H3
InChIKeyQFLRGXYGVSJDHQ-UHFFFAOYSA-N
XLogP2.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline?
The IUPAC name of 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline (CID 43592366) is 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline.
What is the SMILES notation for 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline?
The canonical SMILES for 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline is CC1(C)CN(CCCOc2ccc(N)cc2)CCO1.
What is the InChIKey of 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline?
The InChIKey is QFLRGXYGVSJDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2)12-17(9-11-19-15)8-3-10-18-14-6-4-13(16)5-7-14/h4-7H,3,8-12,16H2,1-2H3.
What are the key properties of 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline?
4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline is sourced from PubChem (CID 43592366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).