[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone

C18H21NO2 — CID 105127292

IUPAC[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cccc(N(C)C)c2)cc1C
InChIInChI=1S/C18H21NO2/c1-12-10-17(21-5)13(2)9-16(12)18(20)14-7-6-8-15(11-14)19(3)4/h6-11H,1-5H3
InChIKeyBGZQWMCPWUDCGN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.61
Rot. Bonds4

About [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone

[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 105127292) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID105127292
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cccc(N(C)C)c2)cc1C
InChIInChI=1S/C18H21NO2/c1-12-10-17(21-5)13(2)9-16(12)18(20)14-7-6-8-15(11-14)19(3)4/h6-11H,1-5H3
InChIKeyBGZQWMCPWUDCGN-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
CID 105094111
[3-(dimethylamino)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434965
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
CID 26831201
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 113370085
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 105099010
(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797667
3-[4-(4-methoxy-2,5-dimethylbenzoyl)phenyl]-2-methylprop-2-enoic acid
CID 54324081

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone (CID 105127292) is [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)c2cccc(N(C)C)c2)cc1C.
What is the InChIKey of [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is BGZQWMCPWUDCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-10-17(21-5)13(2)9-16(12)18(20)14-7-6-8-15(11-14)19(3)4/h6-11H,1-5H3.
What are the key properties of [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone?
[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 105127292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).