1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone

C17H19NO3 — CID 163871431

IUPAC1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(C)=O)c(N)c2C)cc1
InChIInChI=1S/C17H19NO3/c1-11-16(9-8-15(12(2)19)17(11)18)21-10-13-4-6-14(20-3)7-5-13/h4-9H,10,18H2,1-3H3
InChIKeyPLDPIZKDYIGNLQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone

1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone (PubChem CID 163871431) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
PubChem CID163871431
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(C)=O)c(N)c2C)cc1
InChIInChI=1S/C17H19NO3/c1-11-16(9-8-15(12(2)19)17(11)18)21-10-13-4-6-14(20-3)7-5-13/h4-9H,10,18H2,1-3H3
InChIKeyPLDPIZKDYIGNLQ-UHFFFAOYSA-N
XLogP3.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
1-[2-amino-4-(3-chloropropoxy)-3-methylphenyl]ethanone
CID 67070982
1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
CID 11243259
4-[(2-acetyl-5-methoxyphenoxy)methyl]benzonitrile
CID 12813703
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
CID 151811277

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone (CID 163871431) is 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone is COc1ccc(COc2ccc(C(C)=O)c(N)c2C)cc1.
What is the InChIKey of 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone?
The InChIKey is PLDPIZKDYIGNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-16(9-8-15(12(2)19)17(11)18)21-10-13-4-6-14(20-3)7-5-13/h4-9H,10,18H2,1-3H3.
What are the key properties of 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone?
1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone has a molecular weight of 285.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone is sourced from PubChem (CID 163871431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).