4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline

C16H18N2O2 — CID 23321989

IUPAC4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
SMILESNc1ccc(OC/C=C/COc2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h1-10H,11-12,17-18H2/b2-1+
InChIKeyWGQKXRVLAQIOKK-OWOJBTEDSA-N
MW270.33 g/mol
LogP2.87
Rot. Bonds6

About 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline

4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline (PubChem CID 23321989) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline.

Molecular Properties

Compound Name4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
PubChem CID23321989
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
SMILESNc1ccc(OC/C=C/COc2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h1-10H,11-12,17-18H2/b2-1+
InChIKeyWGQKXRVLAQIOKK-OWOJBTEDSA-N
XLogP2.87
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.87
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-4-(4-chlorophenoxy)but-2-enoxy]aniline
CID 20519139
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-(4-chlorophenoxy)but-2-en-1-amine
CID 77110764
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-phenoxybut-2-en-1-amine
CID 68864521
4-[(Z)-4-(4-carboxyphenoxy)but-2-enoxy]benzoic acid
CID 90083122
1-methoxy-4-[(E)-pent-2-enoxy]benzene
CID 176585225
1-ethyl-4-[(E)-pent-2-enoxy]benzene
CID 152800544
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
(4-aminophenoxy)methanediazonium
CID 154269216

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline?
The IUPAC name of 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline (CID 23321989) is 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline.
What is the SMILES notation for 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline?
The canonical SMILES for 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline is Nc1ccc(OC/C=C/COc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline?
The InChIKey is WGQKXRVLAQIOKK-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h1-10H,11-12,17-18H2/b2-1+.
What are the key properties of 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline?
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline has a molecular weight of 270.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline is sourced from PubChem (CID 23321989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).