N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine

C16H17NO — CID 123151526

IUPACN-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine
SMILESC=C(NOC)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C16H17NO/c1-12-6-4-5-7-16(12)15-10-8-14(9-11-15)13(2)17-18-3/h4-11,17H,2H2,1,3H3
InChIKeyASCHHXHHJKMZCG-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.78
Rot. Bonds4

About N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine

N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine (PubChem CID 123151526) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine.

Molecular Properties

Compound NameN-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine
PubChem CID123151526
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine
SMILESC=C(NOC)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C16H17NO/c1-12-6-4-5-7-16(12)15-10-8-14(9-11-15)13(2)17-18-3/h4-11,17H,2H2,1,3H3
InChIKeyASCHHXHHJKMZCG-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 53986590
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2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862
2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethanol
CID 57122048
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine
CID 57278289
1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57317397
4-(2-Fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene
CID 89076921
6-fluoro-N-methoxy-3H-inden-1-amine
CID 91246729
1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine
CID 123241366

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine?
The IUPAC name of N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine (CID 123151526) is N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine.
What is the SMILES notation for N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine?
The canonical SMILES for N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine is C=C(NOC)c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine?
The InChIKey is ASCHHXHHJKMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-6-4-5-7-16(12)15-10-8-14(9-11-15)13(2)17-18-3/h4-11,17H,2H2,1,3H3.
What are the key properties of N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine?
N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine has a molecular weight of 239.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine is sourced from PubChem (CID 123151526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).