1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one

C18H21NO2 — CID 115994566

IUPAC1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H21NO2/c1-4-18(20)16-7-5-6-8-17(16)19(2)13-14-9-11-15(21-3)12-10-14/h5-12H,4,13H2,1-3H3
InChIKeyXULKRKVGELEUAC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.92
Rot. Bonds6

About 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one

1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one (PubChem CID 115994566) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one
PubChem CID115994566
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H21NO2/c1-4-18(20)16-7-5-6-8-17(16)19(2)13-14-9-11-15(21-3)12-10-14/h5-12H,4,13H2,1-3H3
InChIKeyXULKRKVGELEUAC-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
CID 112677258
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
1-[2-(dibenzylamino)phenyl]propan-1-one
CID 174718965
dimethyl 2-[[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]methylidene]propanedioate
CID 135078680
1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 60678107
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 115994942
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354
1-[2-[(4-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 60699051
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
2-[benzyl(methyl)amino]-N-ethylbenzamide
CID 67523896

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one (CID 115994566) is 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one is CCC(=O)c1ccccc1N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one?
The InChIKey is XULKRKVGELEUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-18(20)16-7-5-6-8-17(16)19(2)13-14-9-11-15(21-3)12-10-14/h5-12H,4,13H2,1-3H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one?
1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one is sourced from PubChem (CID 115994566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).