1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine

C17H18FNO2 — CID 91608988

IUPAC1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine
SMILESCOC=C(NOCc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-13-8-9-15(10-16(13)18)17(12-20-2)19-21-11-14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3
InChIKeyBSMITXHNILBFNB-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.80
Rot. Bonds6

About 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine

1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine (PubChem CID 91608988) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine
PubChem CID91608988
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine
SMILESCOC=C(NOCc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-13-8-9-15(10-16(13)18)17(12-20-2)19-21-11-14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3
InChIKeyBSMITXHNILBFNB-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine 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-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
3-fluoro-N-phenylmethoxyaniline
CID 59957349
4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile
CID 90048203
1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine
CID 90740148
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
CID 90825807
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine
CID 91012287

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine (CID 91608988) is 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine is COC=C(NOCc1ccccc1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine?
The InChIKey is BSMITXHNILBFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-13-8-9-15(10-16(13)18)17(12-20-2)19-21-11-14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine?
1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine has a molecular weight of 287.33 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine is sourced from PubChem (CID 91608988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).