4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline

C15H24N2O2 — CID 63671664

IUPAC4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline
SMILESCCCOc1cc(N2CC(C)OCC2C)ccc1N
InChIInChI=1S/C15H24N2O2/c1-4-7-18-15-8-13(5-6-14(15)16)17-9-12(3)19-10-11(17)2/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3
InChIKeyXIGJTPYWDZURJC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.67
Rot. Bonds4

About 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline

4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline (PubChem CID 63671664) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline.

Molecular Properties

Compound Name4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline
PubChem CID63671664
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline
SMILESCCCOc1cc(N2CC(C)OCC2C)ccc1N
InChIInChI=1S/C15H24N2O2/c1-4-7-18-15-8-13(5-6-14(15)16)17-9-12(3)19-10-11(17)2/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3
InChIKeyXIGJTPYWDZURJC-UHFFFAOYSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-Methoxyphenyl)piperazine hydrochloride
CID 9899402
Eltoprazine hydrochloride
CID 3025067
1-(2-Ethoxyphenyl)piperazine
CID 83357
4-(2,5-Diethoxy-4-nitrophenyl)morpholine
CID 66571
Hydroxybenzomorpholine
CID 117709
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
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CID 108138

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline?
The IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline (CID 63671664) is 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline.
What is the SMILES notation for 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline?
The canonical SMILES for 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline is CCCOc1cc(N2CC(C)OCC2C)ccc1N.
What is the InChIKey of 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline?
The InChIKey is XIGJTPYWDZURJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-7-18-15-8-13(5-6-14(15)16)17-9-12(3)19-10-11(17)2/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3.
What are the key properties of 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline?
4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline has a molecular weight of 264.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline is sourced from PubChem (CID 63671664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).