N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine

C17H19NO2 — CID 57255748

IUPACN-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine
SMILESCONC(=COCc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-14-7-6-8-15(11-14)12-20-13-17(18-19-2)16-9-4-3-5-10-16/h3-11,13,18H,12H2,1-2H3
InChIKeyAKKVPHFTKKIKOR-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.66
Rot. Bonds6

About N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine

N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine (PubChem CID 57255748) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine.

Molecular Properties

Compound NameN-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine
PubChem CID57255748
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine
SMILESCONC(=COCc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-14-7-6-8-15(11-14)12-20-13-17(18-19-2)16-9-4-3-5-10-16/h3-11,13,18H,12H2,1-2H3
InChIKeyAKKVPHFTKKIKOR-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.66
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
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
3-(4-fluorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90684633
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
CID 90825807
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine
CID 91145559
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine
CID 91484777
1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine
CID 91608988
benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate
CID 15953114
1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine
CID 125466595
(Z)-1,2-diphenyl-N-(1-phenylbutoxy)ethenamine
CID 134883620

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine?
The IUPAC name of N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine (CID 57255748) is N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine.
What is the SMILES notation for N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine?
The canonical SMILES for N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine is CONC(=COCc1cccc(C)c1)c1ccccc1.
What is the InChIKey of N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine?
The InChIKey is AKKVPHFTKKIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14-7-6-8-15(11-14)12-20-13-17(18-19-2)16-9-4-3-5-10-16/h3-11,13,18H,12H2,1-2H3.
What are the key properties of N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine?
N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine has a molecular weight of 269.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[(3-methylphenyl)methoxy]-1-phenylethenamine is sourced from PubChem (CID 57255748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).