4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline

C14H22N2O3 — CID 97049809

IUPAC4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline
SMILESCCO[C@@H]1CN(c2ccc(N)cc2)[C@H](OCC)CO1
InChIInChI=1S/C14H22N2O3/c1-3-17-13-10-19-14(18-4-2)9-16(13)12-7-5-11(15)6-8-12/h5-8,13-14H,3-4,9-10,15H2,1-2H3/t13-,14+/m1/s1
InChIKeyHUEHFKHPCYGLMX-KGLIPLIRSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds5

About 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline

4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline (PubChem CID 97049809) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline.

Molecular Properties

Compound Name4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline
PubChem CID97049809
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline
SMILESCCO[C@@H]1CN(c2ccc(N)cc2)[C@H](OCC)CO1
InChIInChI=1S/C14H22N2O3/c1-3-17-13-10-19-14(18-4-2)9-16(13)12-7-5-11(15)6-8-12/h5-8,13-14H,3-4,9-10,15H2,1-2H3/t13-,14+/m1/s1
InChIKeyHUEHFKHPCYGLMX-KGLIPLIRSA-N
XLogP1.83
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline?
The IUPAC name of 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline (CID 97049809) is 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline.
What is the SMILES notation for 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline?
The canonical SMILES for 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline is CCO[C@@H]1CN(c2ccc(N)cc2)[C@H](OCC)CO1.
What is the InChIKey of 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline?
The InChIKey is HUEHFKHPCYGLMX-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-17-13-10-19-14(18-4-2)9-16(13)12-7-5-11(15)6-8-12/h5-8,13-14H,3-4,9-10,15H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline?
4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline has a molecular weight of 266.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,5R)-2,5-diethoxymorpholin-4-yl]aniline is sourced from PubChem (CID 97049809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).