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

C19H26N2O — CID 82257627

IUPAC5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCCc2ccccc2)cc1N
InChIInChI=1S/C19H26N2O/c1-2-14-22-19-9-8-17(15-18(19)20)11-13-21-12-10-16-6-4-3-5-7-16/h3-9,15,21H,2,10-14,20H2,1H3
InChIKeyHKYKCVZYZIGWHK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.43
Rot. Bonds9

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

5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline (PubChem CID 82257627) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
PubChem CID82257627
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCCc2ccccc2)cc1N
InChIInChI=1S/C19H26N2O/c1-2-14-22-19-9-8-17(15-18(19)20)11-13-21-12-10-16-6-4-3-5-7-16/h3-9,15,21H,2,10-14,20H2,1H3
InChIKeyHKYKCVZYZIGWHK-UHFFFAOYSA-N
XLogP3.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.43
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-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697
5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
CID 82257617
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
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
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline
CID 82257717
2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
CID 82257562
5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
CID 82257704
5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
CID 82153898

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline?
The IUPAC name of 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline (CID 82257627) is 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline is CCCOc1ccc(CCNCCc2ccccc2)cc1N.
What is the InChIKey of 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline?
The InChIKey is HKYKCVZYZIGWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-14-22-19-9-8-17(15-18(19)20)11-13-21-12-10-16-6-4-3-5-7-16/h3-9,15,21H,2,10-14,20H2,1H3.
What are the key properties of 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline?
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline has a molecular weight of 298.43 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline is sourced from PubChem (CID 82257627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).