[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone

C18H21NO2 — CID 105119950

IUPAC[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)21-17-8-6-5-7-16(17)18(20)14-9-11-15(12-10-14)19(3)4/h5-13H,1-4H3
InChIKeyBLPJGMLGCJZCMG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.77
Rot. Bonds5

About [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone

[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone (PubChem CID 105119950) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
PubChem CID105119950
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)21-17-8-6-5-7-16(17)18(20)14-9-11-15(12-10-14)19(3)4/h5-13H,1-4H3
InChIKeyBLPJGMLGCJZCMG-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
2-imino-1-(2-propan-2-yloxyphenyl)ethanone
CID 91538765

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone (CID 105119950) is [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccccc1C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is BLPJGMLGCJZCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)21-17-8-6-5-7-16(17)18(20)14-9-11-15(12-10-14)19(3)4/h5-13H,1-4H3.
What are the key properties of [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone?
[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 105119950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).