(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone

C20H23NO — CID 24724806

IUPAC(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2cccc(CN3CCCC3)c2)cc1C
InChIInChI=1S/C20H23NO/c1-15-8-9-19(12-16(15)2)20(22)18-7-5-6-17(13-18)14-21-10-3-4-11-21/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKeyMCULUOONUTZSBM-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.13
Rot. Bonds4

About (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone

(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724806) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID24724806
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2cccc(CN3CCCC3)c2)cc1C
InChIInChI=1S/C20H23NO/c1-15-8-9-19(12-16(15)2)20(22)18-7-5-6-17(13-18)14-21-10-3-4-11-21/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKeyMCULUOONUTZSBM-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 24724815
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24724847
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724955

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 24724806) is (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone is Cc1ccc(C(=O)c2cccc(CN3CCCC3)c2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is MCULUOONUTZSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-15-8-9-19(12-16(15)2)20(22)18-7-5-6-17(13-18)14-21-10-3-4-11-21/h5-9,12-13H,3-4,10-11,14H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 293.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).