[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone

C18H21NO — CID 105133978

IUPAC[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H21NO/c1-4-7-14-8-5-9-15(12-14)18(20)16-10-6-11-17(13-16)19(2)3/h5-6,8-13H,4,7H2,1-3H3
InChIKeyYWFISNDIMHGICI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.94
Rot. Bonds5

About [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone

[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone (PubChem CID 105133978) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
PubChem CID105133978
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H21NO/c1-4-7-14-8-5-9-15(12-14)18(20)16-10-6-11-17(13-16)19(2)3/h5-6,8-13H,4,7H2,1-3H3
InChIKeyYWFISNDIMHGICI-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[3-(dimethylamino)phenyl]methanone
CID 14534104
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone (CID 105133978) is [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone?
The InChIKey is YWFISNDIMHGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-7-14-8-5-9-15(12-14)18(20)16-10-6-11-17(13-16)19(2)3/h5-6,8-13H,4,7H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone?
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone has a molecular weight of 267.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(3-propylphenyl)methanone is sourced from PubChem (CID 105133978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).