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

C15H24N2O — CID 115341786

IUPAC4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
SMILESCC1(C)CN(CCCc2ccc(N)cc2)CCO1
InChIInChI=1S/C15H24N2O/c1-15(2)12-17(10-11-18-15)9-3-4-13-5-7-14(16)8-6-13/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyKOPJUJMBFVTUMW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds4

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

4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline (PubChem CID 115341786) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline.

Molecular Properties

Compound Name4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
PubChem CID115341786
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
SMILESCC1(C)CN(CCCc2ccc(N)cc2)CCO1
InChIInChI=1S/C15H24N2O/c1-15(2)12-17(10-11-18-15)9-3-4-13-5-7-14(16)8-6-13/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyKOPJUJMBFVTUMW-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', '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)propyl]aniline?
The IUPAC name of 4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline (CID 115341786) is 4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline.
What is the SMILES notation for 4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline?
The canonical SMILES for 4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline is CC1(C)CN(CCCc2ccc(N)cc2)CCO1.
What is the InChIKey of 4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline?
The InChIKey is KOPJUJMBFVTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)12-17(10-11-18-15)9-3-4-13-5-7-14(16)8-6-13/h5-8H,3-4,9-12,16H2,1-2H3.
What are the key properties of 4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline?
4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline is sourced from PubChem (CID 115341786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).