5-[2-(ethylamino)ethyl]-2-propoxyaniline

C13H22N2O — CID 82257618

IUPAC5-[2-(ethylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCC)cc1N
InChIInChI=1S/C13H22N2O/c1-3-9-16-13-6-5-11(10-12(13)14)7-8-15-4-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3
InChIKeyGTCNBFZEKSMQCJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.21
Rot. Bonds7

About 5-[2-(ethylamino)ethyl]-2-propoxyaniline

5-[2-(ethylamino)ethyl]-2-propoxyaniline (PubChem CID 82257618) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-2-propoxyaniline
PubChem CID82257618
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-[2-(ethylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCC)cc1N
InChIInChI=1S/C13H22N2O/c1-3-9-16-13-6-5-11(10-12(13)14)7-8-15-4-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3
InChIKeyGTCNBFZEKSMQCJ-UHFFFAOYSA-N
XLogP2.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
CID 82257617
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
CID 82257655
5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
CID 95408695
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
CID 82257558
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
5-[3-(4-ethoxyanilino)propyl]-2-propoxyaniline
CID 82153892
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
CID 82257704

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-2-propoxyaniline?
The IUPAC name of 5-[2-(ethylamino)ethyl]-2-propoxyaniline (CID 82257618) is 5-[2-(ethylamino)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-2-propoxyaniline is CCCOc1ccc(CCNCC)cc1N.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-2-propoxyaniline?
The InChIKey is GTCNBFZEKSMQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-9-16-13-6-5-11(10-12(13)14)7-8-15-4-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-2-propoxyaniline?
5-[2-(ethylamino)ethyl]-2-propoxyaniline has a molecular weight of 222.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-2-propoxyaniline is sourced from PubChem (CID 82257618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).