2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline

C19H26N2O2 — CID 95408677

IUPAC2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
SMILESCCOc1ccc(CCNCCc2ccc(OC)cc2)cc1N
InChIInChI=1S/C19H26N2O2/c1-3-23-19-9-6-16(14-18(19)20)11-13-21-12-10-15-4-7-17(22-2)8-5-15/h4-9,14,21H,3,10-13,20H2,1-2H3
InChIKeyMGHPMBNVJZQPDT-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.05
Rot. Bonds9

About 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline

2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline (PubChem CID 95408677) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
PubChem CID95408677
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
SMILESCCOc1ccc(CCNCCc2ccc(OC)cc2)cc1N
InChIInChI=1S/C19H26N2O2/c1-3-23-19-9-6-16(14-18(19)20)11-13-21-12-10-15-4-7-17(22-2)8-5-15/h4-9,14,21H,3,10-13,20H2,1-2H3
InChIKeyMGHPMBNVJZQPDT-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
CID 94759885
2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
CID 82257573
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
CID 82257558
4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 82257346
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
CID 82257562
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline?
The IUPAC name of 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline (CID 95408677) is 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline.
What is the SMILES notation for 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline?
The canonical SMILES for 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline is CCOc1ccc(CCNCCc2ccc(OC)cc2)cc1N.
What is the InChIKey of 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline?
The InChIKey is MGHPMBNVJZQPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-23-19-9-6-16(14-18(19)20)11-13-21-12-10-15-4-7-17(22-2)8-5-15/h4-9,14,21H,3,10-13,20H2,1-2H3.
What are the key properties of 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline?
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline has a molecular weight of 314.43 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline is sourced from PubChem (CID 95408677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).