1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol

C18H30N2O3 — CID 111442515

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol
SMILESCCOc1ccc(N(C)CC(O)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H30N2O3/c1-5-22-18-8-6-16(7-9-18)19(4)12-17(21)13-20-10-14(2)23-15(3)11-20/h6-9,14-15,17,21H,5,10-13H2,1-4H3
InChIKeyHZCJWMKDMKMBLX-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.99
Rot. Bonds7

About 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol (PubChem CID 111442515) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol
PubChem CID111442515
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol
SMILESCCOc1ccc(N(C)CC(O)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H30N2O3/c1-5-22-18-8-6-16(7-9-18)19(4)12-17(21)13-20-10-14(2)23-15(3)11-20/h6-9,14-15,17,21H,5,10-13H2,1-4H3
InChIKeyHZCJWMKDMKMBLX-UHFFFAOYSA-N
XLogP1.99
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol (CID 111442515) is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol is CCOc1ccc(N(C)CC(O)CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol?
The InChIKey is HZCJWMKDMKMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-22-18-8-6-16(7-9-18)19(4)12-17(21)13-20-10-14(2)23-15(3)11-20/h6-9,14-15,17,21H,5,10-13H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol?
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol is sourced from PubChem (CID 111442515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).