N-(3-morpholin-4-ylpropyl)aniline

C13H20N2O — CID 59526603

IUPACN-(3-morpholin-4-ylpropyl)aniline
SMILESc1ccc(NCCCN2CCOCC2)cc1
InChIInChI=1S/C13H20N2O/c1-2-5-13(6-3-1)14-7-4-8-15-9-11-16-12-10-15/h1-3,5-6,14H,4,7-12H2
InChIKeyGWOODGLTWCTWTP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.82
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)aniline

N-(3-morpholin-4-ylpropyl)aniline (PubChem CID 59526603) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)aniline.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)aniline
PubChem CID59526603
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(3-morpholin-4-ylpropyl)aniline
SMILESc1ccc(NCCCN2CCOCC2)cc1
InChIInChI=1S/C13H20N2O/c1-2-5-13(6-3-1)14-7-4-8-15-9-11-16-12-10-15/h1-3,5-6,14H,4,7-12H2
InChIKeyGWOODGLTWCTWTP-UHFFFAOYSA-N
XLogP1.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)aniline?
The IUPAC name of N-(3-morpholin-4-ylpropyl)aniline (CID 59526603) is N-(3-morpholin-4-ylpropyl)aniline.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)aniline?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)aniline is c1ccc(NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)aniline?
The InChIKey is GWOODGLTWCTWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-5-13(6-3-1)14-7-4-8-15-9-11-16-12-10-15/h1-3,5-6,14H,4,7-12H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)aniline?
N-(3-morpholin-4-ylpropyl)aniline has a molecular weight of 220.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)aniline is sourced from PubChem (CID 59526603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).