N-methoxy-1-phenyl-2-phenylmethoxyethenamine

C16H17NO2 — CID 57125943

IUPACN-methoxy-1-phenyl-2-phenylmethoxyethenamine
SMILESCONC(=COCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-18-17-16(15-10-6-3-7-11-15)13-19-12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyYAQVPJHWFFOAEA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.35
Rot. Bonds6

About N-methoxy-1-phenyl-2-phenylmethoxyethenamine

N-methoxy-1-phenyl-2-phenylmethoxyethenamine (PubChem CID 57125943) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methoxy-1-phenyl-2-phenylmethoxyethenamine.

Molecular Properties

Compound NameN-methoxy-1-phenyl-2-phenylmethoxyethenamine
PubChem CID57125943
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-methoxy-1-phenyl-2-phenylmethoxyethenamine
SMILESCONC(=COCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-18-17-16(15-10-6-3-7-11-15)13-19-12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyYAQVPJHWFFOAEA-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.35
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'}

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Related Compounds

beta-Methoxy-alpha-nitrostilbene
CID 14946043
benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate
CID 58839422
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
CID 90825807
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
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
2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine
CID 91090348
1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine
CID 91145559
2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine
CID 91272919
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine
CID 91484777
2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine
CID 91532829

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenyl-2-phenylmethoxyethenamine?
The IUPAC name of N-methoxy-1-phenyl-2-phenylmethoxyethenamine (CID 57125943) is N-methoxy-1-phenyl-2-phenylmethoxyethenamine.
What is the SMILES notation for N-methoxy-1-phenyl-2-phenylmethoxyethenamine?
The canonical SMILES for N-methoxy-1-phenyl-2-phenylmethoxyethenamine is CONC(=COCc1ccccc1)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenyl-2-phenylmethoxyethenamine?
The InChIKey is YAQVPJHWFFOAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-17-16(15-10-6-3-7-11-15)13-19-12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3.
What are the key properties of N-methoxy-1-phenyl-2-phenylmethoxyethenamine?
N-methoxy-1-phenyl-2-phenylmethoxyethenamine has a molecular weight of 255.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenyl-2-phenylmethoxyethenamine is sourced from PubChem (CID 57125943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).