1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone

C17H19NO2 — CID 39205554

IUPAC1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H19NO2/c1-13(19)15-5-4-6-17(11-15)20-12-14-7-9-16(10-8-14)18(2)3/h4-11H,12H2,1-3H3
InChIKeyWREWQOITTKZKBV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.53
Rot. Bonds5

About 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone

1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone (PubChem CID 39205554) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
PubChem CID39205554
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H19NO2/c1-13(19)15-5-4-6-17(11-15)20-12-14-7-9-16(10-8-14)18(2)3/h4-11H,12H2,1-3H3
InChIKeyWREWQOITTKZKBV-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
(3-acetylphenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 126187584
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate
CID 6733878
1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone
CID 117051929

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone (CID 39205554) is 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone?
The InChIKey is WREWQOITTKZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(19)15-5-4-6-17(11-15)20-12-14-7-9-16(10-8-14)18(2)3/h4-11H,12H2,1-3H3.
What are the key properties of 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone?
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone has a molecular weight of 269.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 39205554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).