1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one

C18H19NO — CID 54137742

IUPAC1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
SMILESCc1cccc(C=CC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H19NO/c1-14-5-4-6-15(13-14)7-12-18(20)16-8-10-17(11-9-16)19(2)3/h4-13H,1-3H3
InChIKeyNYXBIRPUQGDKRE-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one

1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one (PubChem CID 54137742) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
PubChem CID54137742
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
SMILESCc1cccc(C=CC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H19NO/c1-14-5-4-6-15(13-14)7-12-18(20)16-8-10-17(11-9-16)19(2)3/h4-13H,1-3H3
InChIKeyNYXBIRPUQGDKRE-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one;3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 67867669
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
CID 161243705
(E)-3-[3-(dimethylamino)phenyl]-1-(4-ethylsulfanylphenyl)prop-2-en-1-one
CID 19824538
(E)-3-(3-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 6282407
3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
CID 123185506
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
(E)-3-[4-(dimethylamino)phenyl]-1-(4-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)prop-2-en-1-one
CID 23460816
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 52644018
(E)-1-(4-methyl-3-nitrophenyl)-3-(3-methylphenyl)prop-2-en-1-one
CID 6038542

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one (CID 54137742) is 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one is Cc1cccc(C=CC(=O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one?
The InChIKey is NYXBIRPUQGDKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-5-4-6-15(13-14)7-12-18(20)16-8-10-17(11-9-16)19(2)3/h4-13H,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one?
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 54137742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).