N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline

C18H20N2O — CID 90242518

IUPACN-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline
SMILESC=CC(Nc1ccccc1)OC(C=C)Nc1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-17(19-15-11-7-5-8-12-15)21-18(4-2)20-16-13-9-6-10-14-16/h3-14,17-20H,1-2H2
InChIKeyOGIKQNBCWLOCNA-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.25
Rot. Bonds8

About N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline

N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline (PubChem CID 90242518) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline.

Molecular Properties

Compound NameN-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline
PubChem CID90242518
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline
SMILESC=CC(Nc1ccccc1)OC(C=C)Nc1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-17(19-15-11-7-5-8-12-15)21-18(4-2)20-16-13-9-6-10-14-16/h3-14,17-20H,1-2H2
InChIKeyOGIKQNBCWLOCNA-UHFFFAOYSA-N
XLogP4.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(1-anilinoprop-2-enoxy)prop-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-anilinoprop-2-enylphosphonic acid
CID 67832597
(2S)-2-anilinobut-3-en-1-ol
CID 130626811
N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline
CID 102087779
3-but-3-en-2-yloxybut-1-ene;N-ethylaniline
CID 66648742
N',N"-diphenylmethanetriamine
CID 89357309
penta-1,4-dien-3-ylbenzene
CID 15879286
3-anilino-2-methylidenebutanal
CID 71490477
N-[(3S,4R)-4-ethyl-6-phenylmethoxyhex-1-en-3-yl]aniline
CID 53376212
N-[1-(1-methoxyethoxy)ethyl]aniline
CID 89281099
N-phenylaniline;prop-2-enoic acid
CID 160759599
N-[1-(1H-imidazol-2-yl)prop-2-enyl]aniline
CID 70576134
methyl 2-anilinopropanoate
CID 3417283

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline?
The IUPAC name of N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline (CID 90242518) is N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline.
What is the SMILES notation for N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline?
The canonical SMILES for N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline is C=CC(Nc1ccccc1)OC(C=C)Nc1ccccc1.
What is the InChIKey of N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline?
The InChIKey is OGIKQNBCWLOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-17(19-15-11-7-5-8-12-15)21-18(4-2)20-16-13-9-6-10-14-16/h3-14,17-20H,1-2H2.
What are the key properties of N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline?
N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline has a molecular weight of 280.37 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline is sourced from PubChem (CID 90242518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).