4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline

C17H28N2O4 — CID 67274115

IUPAC4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline
SMILESCOc1cc(N)cc(OC)c1OCCCN1CC(C)OC(C)C1
InChIInChI=1S/C17H28N2O4/c1-12-10-19(11-13(2)23-12)6-5-7-22-17-15(20-3)8-14(18)9-16(17)21-4/h8-9,12-13H,5-7,10-11,18H2,1-4H3
InChIKeyPBSZIKUVZMDPPG-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.16
Rot. Bonds7

About 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline

4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline (PubChem CID 67274115) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline.

Molecular Properties

Compound Name4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline
PubChem CID67274115
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline
SMILESCOc1cc(N)cc(OC)c1OCCCN1CC(C)OC(C)C1
InChIInChI=1S/C17H28N2O4/c1-12-10-19(11-13(2)23-12)6-5-7-22-17-15(20-3)8-14(18)9-16(17)21-4/h8-9,12-13H,5-7,10-11,18H2,1-4H3
InChIKeyPBSZIKUVZMDPPG-UHFFFAOYSA-N
XLogP2.16
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline?
The IUPAC name of 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline (CID 67274115) is 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline.
What is the SMILES notation for 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline?
The canonical SMILES for 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline is COc1cc(N)cc(OC)c1OCCCN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline?
The InChIKey is PBSZIKUVZMDPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12-10-19(11-13(2)23-12)6-5-7-22-17-15(20-3)8-14(18)9-16(17)21-4/h8-9,12-13H,5-7,10-11,18H2,1-4H3.
What are the key properties of 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline?
4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline has a molecular weight of 324.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline is sourced from PubChem (CID 67274115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).