N-methoxy-2-(4-methylphenyl)-1-phenylethenamine

C16H17NO — CID 57173379

IUPACN-methoxy-2-(4-methylphenyl)-1-phenylethenamine
SMILESCONC(=Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13-8-10-14(11-9-13)12-16(17-18-2)15-6-4-3-5-7-15/h3-12,17H,1-2H3
InChIKeyKLCDQNIIEPEPHD-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.64
Rot. Bonds4

About N-methoxy-2-(4-methylphenyl)-1-phenylethenamine

N-methoxy-2-(4-methylphenyl)-1-phenylethenamine (PubChem CID 57173379) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methoxy-2-(4-methylphenyl)-1-phenylethenamine.

Molecular Properties

Compound NameN-methoxy-2-(4-methylphenyl)-1-phenylethenamine
PubChem CID57173379
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-methoxy-2-(4-methylphenyl)-1-phenylethenamine
SMILESCONC(=Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13-8-10-14(11-9-13)12-16(17-18-2)15-6-4-3-5-7-15/h3-12,17H,1-2H3
InChIKeyKLCDQNIIEPEPHD-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methoxybenzhydrylamine
CID 12482323
n-(4-Methylbenzyl)-o-methyl-hydroxylamine
CID 23499551
Phenyloxazine
CID 53643691
N-benzylidenebenzylimine
CID 59774438
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57099402

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(4-methylphenyl)-1-phenylethenamine?
The IUPAC name of N-methoxy-2-(4-methylphenyl)-1-phenylethenamine (CID 57173379) is N-methoxy-2-(4-methylphenyl)-1-phenylethenamine.
What is the SMILES notation for N-methoxy-2-(4-methylphenyl)-1-phenylethenamine?
The canonical SMILES for N-methoxy-2-(4-methylphenyl)-1-phenylethenamine is CONC(=Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-methoxy-2-(4-methylphenyl)-1-phenylethenamine?
The InChIKey is KLCDQNIIEPEPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13-8-10-14(11-9-13)12-16(17-18-2)15-6-4-3-5-7-15/h3-12,17H,1-2H3.
What are the key properties of N-methoxy-2-(4-methylphenyl)-1-phenylethenamine?
N-methoxy-2-(4-methylphenyl)-1-phenylethenamine has a molecular weight of 239.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(4-methylphenyl)-1-phenylethenamine is sourced from PubChem (CID 57173379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).