1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol

C19H31NO3 — CID 82073803

IUPAC1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
SMILESCCCCOc1ccc(C(O)CCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H31NO3/c1-4-5-12-22-18-8-6-17(7-9-18)19(21)10-11-20-13-15(2)23-16(3)14-20/h6-9,15-16,19,21H,4-5,10-14H2,1-3H3
InChIKeyOBELFEJNTCQMJP-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.40
Rot. Bonds8

About 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol

1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol (PubChem CID 82073803) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
PubChem CID82073803
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
SMILESCCCCOc1ccc(C(O)CCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H31NO3/c1-4-5-12-22-18-8-6-17(7-9-18)19(21)10-11-20-13-15(2)23-16(3)14-20/h6-9,15-16,19,21H,4-5,10-14H2,1-3H3
InChIKeyOBELFEJNTCQMJP-UHFFFAOYSA-N
XLogP3.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol (CID 82073803) is 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol is CCCCOc1ccc(C(O)CCN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol?
The InChIKey is OBELFEJNTCQMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-4-5-12-22-18-8-6-17(7-9-18)19(21)10-11-20-13-15(2)23-16(3)14-20/h6-9,15-16,19,21H,4-5,10-14H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol?
1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 82073803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).