4-ethoxy-N-(3-phenylprop-2-enyl)aniline

C17H19NO — CID 4202531

IUPAC4-ethoxy-N-(3-phenylprop-2-enyl)aniline
SMILESCCOc1ccc(NCC=Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-19-17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-13,18H,2,14H2,1H3
InChIKeyQVLALJIVWRALQH-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.21
Rot. Bonds6

About 4-ethoxy-N-(3-phenylprop-2-enyl)aniline

4-ethoxy-N-(3-phenylprop-2-enyl)aniline (PubChem CID 4202531) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-ethoxy-N-(3-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N-(3-phenylprop-2-enyl)aniline
PubChem CID4202531
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-ethoxy-N-(3-phenylprop-2-enyl)aniline
SMILESCCOc1ccc(NCC=Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-19-17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-13,18H,2,14H2,1H3
InChIKeyQVLALJIVWRALQH-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-ethoxy-N-(3-phenylprop-2-enyl)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

1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
N-[(E)-4-chlorobut-2-enyl]-4-ethoxyaniline
CID 81429517
3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline
CID 73471536
N-(4-ethoxyphenyl)-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
CID 6275606
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
CID 78605740
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide
CID 110827502
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832
(5E)-2-[(4-ethoxyanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 5467980
(2E)-2-benzylidene-N-(4-ethoxyphenyl)-3-oxobutanamide
CID 5387707
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-phenylprop-2-enyl)aniline?
The IUPAC name of 4-ethoxy-N-(3-phenylprop-2-enyl)aniline (CID 4202531) is 4-ethoxy-N-(3-phenylprop-2-enyl)aniline.
What is the SMILES notation for 4-ethoxy-N-(3-phenylprop-2-enyl)aniline?
The canonical SMILES for 4-ethoxy-N-(3-phenylprop-2-enyl)aniline is CCOc1ccc(NCC=Cc2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-phenylprop-2-enyl)aniline?
The InChIKey is QVLALJIVWRALQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-19-17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-13,18H,2,14H2,1H3.
What are the key properties of 4-ethoxy-N-(3-phenylprop-2-enyl)aniline?
4-ethoxy-N-(3-phenylprop-2-enyl)aniline has a molecular weight of 253.34 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-phenylprop-2-enyl)aniline is sourced from PubChem (CID 4202531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).