1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one

C24H31NO2 — CID 19895390

IUPAC1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one
SMILESCc1cc(OCCN2CCCC2)cc(C)c1-c1cccc(C(=O)C(C)C)c1
InChIInChI=1S/C24H31NO2/c1-17(2)24(26)21-9-7-8-20(16-21)23-18(3)14-22(15-19(23)4)27-13-12-25-10-5-6-11-25/h7-9,14-17H,5-6,10-13H2,1-4H3
InChIKeyQRFMCPFZELNYSO-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.28
Rot. Bonds7

About 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one

1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one (PubChem CID 19895390) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one
PubChem CID19895390
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one
SMILESCc1cc(OCCN2CCCC2)cc(C)c1-c1cccc(C(=O)C(C)C)c1
InChIInChI=1S/C24H31NO2/c1-17(2)24(26)21-9-7-8-20(16-21)23-18(3)14-22(15-19(23)4)27-13-12-25-10-5-6-11-25/h7-9,14-17H,5-6,10-13H2,1-4H3
InChIKeyQRFMCPFZELNYSO-UHFFFAOYSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
1-[3-[2,5-dimethyl-4-(2-piperidin-1-ylethoxy)phenyl]phenyl]butan-1-one
CID 19895413
1-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-ethylphenyl)prop-2-en-1-one;hydrochloride
CID 139774918
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
[(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone
CID 170503220
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
1-[7-hydroxy-5-methyl-10-[4-(3-piperidin-1-ylpropoxy)phenyl]phenanthren-2-yl]-2-methylpropan-1-one
CID 142162971
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
CID 166906888
4-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrole-2-carboxylic acid
CID 167844599

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one (CID 19895390) is 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one is Cc1cc(OCCN2CCCC2)cc(C)c1-c1cccc(C(=O)C(C)C)c1.
What is the InChIKey of 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one?
The InChIKey is QRFMCPFZELNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-17(2)24(26)21-9-7-8-20(16-21)23-18(3)14-22(15-19(23)4)27-13-12-25-10-5-6-11-25/h7-9,14-17H,5-6,10-13H2,1-4H3.
What are the key properties of 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one?
1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one has a molecular weight of 365.52 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 19895390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).