2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline

C18H30N2O3 — CID 154107073

IUPAC2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline
SMILESCCC(C)Oc1cc(N2CCOCC2)c(OC(C)CC)cc1N
InChIInChI=1S/C18H30N2O3/c1-5-13(3)22-17-12-16(20-7-9-21-10-8-20)18(11-15(17)19)23-14(4)6-2/h11-14H,5-10,19H2,1-4H3
InChIKeyXVBITWMHJUJTPB-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.46
Rot. Bonds7

About 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline

2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline (PubChem CID 154107073) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline
PubChem CID154107073
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline
SMILESCCC(C)Oc1cc(N2CCOCC2)c(OC(C)CC)cc1N
InChIInChI=1S/C18H30N2O3/c1-5-13(3)22-17-12-16(20-7-9-21-10-8-20)18(11-15(17)19)23-14(4)6-2/h11-14H,5-10,19H2,1-4H3
InChIKeyXVBITWMHJUJTPB-UHFFFAOYSA-N
XLogP3.46
TPSA56.95 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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline?
The IUPAC name of 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline (CID 154107073) is 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline.
What is the SMILES notation for 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline?
The canonical SMILES for 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline is CCC(C)Oc1cc(N2CCOCC2)c(OC(C)CC)cc1N.
What is the InChIKey of 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline?
The InChIKey is XVBITWMHJUJTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-13(3)22-17-12-16(20-7-9-21-10-8-20)18(11-15(17)19)23-14(4)6-2/h11-14H,5-10,19H2,1-4H3.
What are the key properties of 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline?
2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline has a molecular weight of 322.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline is sourced from PubChem (CID 154107073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).