4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline

C17H23N3O — CID 14645098

IUPAC4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline
SMILESCN(CCOc1ccc(N)cc1)CCc1ccc(N)cc1
InChIInChI=1S/C17H23N3O/c1-20(11-10-14-2-4-15(18)5-3-14)12-13-21-17-8-6-16(19)7-9-17/h2-9H,10-13,18-19H2,1H3
InChIKeyQZYRUZJJDBUKII-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds7

About 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline

4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline (PubChem CID 14645098) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline
PubChem CID14645098
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline
SMILESCN(CCOc1ccc(N)cc1)CCc1ccc(N)cc1
InChIInChI=1S/C17H23N3O/c1-20(11-10-14-2-4-15(18)5-3-14)12-13-21-17-8-6-16(19)7-9-17/h2-9H,10-13,18-19H2,1H3
InChIKeyQZYRUZJJDBUKII-UHFFFAOYSA-N
XLogP2.40
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline?
The IUPAC name of 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline (CID 14645098) is 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline.
What is the SMILES notation for 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline?
The canonical SMILES for 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline is CN(CCOc1ccc(N)cc1)CCc1ccc(N)cc1.
What is the InChIKey of 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline?
The InChIKey is QZYRUZJJDBUKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(11-10-14-2-4-15(18)5-3-14)12-13-21-17-8-6-16(19)7-9-17/h2-9H,10-13,18-19H2,1H3.
What are the key properties of 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline?
4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline is sourced from PubChem (CID 14645098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).