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

C16H17NO3 — CID 91863870

IUPAC1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(C)=O)c(N)c2)cc1
InChIInChI=1S/C16H17NO3/c1-11(18)15-8-7-14(9-16(15)17)20-10-12-3-5-13(19-2)6-4-12/h3-9H,10,17H2,1-2H3
InChIKeyCTFPJVZNWOGOKH-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.06
Rot. Bonds5

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

1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 91863870) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID91863870
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(C)=O)c(N)c2)cc1
InChIInChI=1S/C16H17NO3/c1-11(18)15-8-7-14(9-16(15)17)20-10-12-3-5-13(19-2)6-4-12/h3-9H,10,17H2,1-2H3
InChIKeyCTFPJVZNWOGOKH-UHFFFAOYSA-N
XLogP3.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.06
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-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
CID 163871431
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone
CID 104528229
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
CID 173066135
2-hydroxy-4-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 68959972
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone (CID 91863870) is 1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(COc2ccc(C(C)=O)c(N)c2)cc1.
What is the InChIKey of 1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is CTFPJVZNWOGOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(18)15-8-7-14(9-16(15)17)20-10-12-3-5-13(19-2)6-4-12/h3-9H,10,17H2,1-2H3.
What are the key properties of 1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 3.06, 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]phenyl]ethanone is sourced from PubChem (CID 91863870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).