N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine

C16H17NO2 — CID 166706398

IUPACN-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine
SMILESC=C(NCc1ccc(OC)cc1)Oc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(19-16-6-4-3-5-7-16)17-12-14-8-10-15(18-2)11-9-14/h3-11,17H,1,12H2,2H3
InChIKeyYMFRGFNTYOOVMY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.34
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine

N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine (PubChem CID 166706398) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine
PubChem CID166706398
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine
SMILESC=C(NCc1ccc(OC)cc1)Oc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(19-16-6-4-3-5-7-16)17-12-14-8-10-15(18-2)11-9-14/h3-11,17H,1,12H2,2H3
InChIKeyYMFRGFNTYOOVMY-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077065
1-methoxy-4-(1-phenoxyethenyl)benzene
CID 89029241
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
1-anilino-3-[(4-methoxyphenyl)methyl]thiourea
CID 4850556
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
1-benzhydryl-3-[(4-methoxyphenyl)methyl]thiourea
CID 8618623
1-[(4-methoxyphenyl)methyl]-3-(phenylcarbamothioylamino)thiourea
CID 8618425
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine (CID 166706398) is N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine is C=C(NCc1ccc(OC)cc1)Oc1ccccc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine?
The InChIKey is YMFRGFNTYOOVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(19-16-6-4-3-5-7-16)17-12-14-8-10-15(18-2)11-9-14/h3-11,17H,1,12H2,2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine?
N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine has a molecular weight of 255.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine is sourced from PubChem (CID 166706398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).