(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone

C20H23NO — CID 24724803

IUPAC(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2cccc(CN3CCCC3)c2)c(C)c1
InChIInChI=1S/C20H23NO/c1-15-8-9-19(16(2)12-15)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
InChIKeyNWYZMTPXOFKYNV-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.13
Rot. Bonds4

About (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone

(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724803) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID24724803
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2cccc(CN3CCCC3)c2)c(C)c1
InChIInChI=1S/C20H23NO/c1-15-8-9-19(16(2)12-15)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
InChIKeyNWYZMTPXOFKYNV-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-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724955
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide
CID 143766184
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 24724815
4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24724847

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 24724803) is (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone is Cc1ccc(C(=O)c2cccc(CN3CCCC3)c2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is NWYZMTPXOFKYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-15-8-9-19(16(2)12-15)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 (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(2,4-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 (2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).