5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline

C18H31N3O2 — CID 95408695

IUPAC5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCCCN2CCOCC2)cc1N
InChIInChI=1S/C18H31N3O2/c1-2-12-23-18-5-4-16(15-17(18)19)6-8-20-7-3-9-21-10-13-22-14-11-21/h4-5,15,20H,2-3,6-14,19H2,1H3
InChIKeyJOFKHEJRDAMKEU-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.91
Rot. Bonds10

About 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline

5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline (PubChem CID 95408695) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
PubChem CID95408695
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCCCN2CCOCC2)cc1N
InChIInChI=1S/C18H31N3O2/c1-2-12-23-18-5-4-16(15-17(18)19)6-8-20-7-3-9-21-10-13-22-14-11-21/h4-5,15,20H,2-3,6-14,19H2,1H3
InChIKeyJOFKHEJRDAMKEU-UHFFFAOYSA-N
XLogP1.91
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
CID 82257573
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
CID 82257655
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
5-[2-(azepan-1-yl)ethyl]-2-propoxyaniline
CID 82256209
5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
CID 82257617
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline?
The IUPAC name of 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline (CID 95408695) is 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline is CCCOc1ccc(CCNCCCN2CCOCC2)cc1N.
What is the InChIKey of 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline?
The InChIKey is JOFKHEJRDAMKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-2-12-23-18-5-4-16(15-17(18)19)6-8-20-7-3-9-21-10-13-22-14-11-21/h4-5,15,20H,2-3,6-14,19H2,1H3.
What are the key properties of 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline?
5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline has a molecular weight of 321.47 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline is sourced from PubChem (CID 95408695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).