(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone

C19H21NO — CID 24725235

IUPAC(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccccc2CN2CCCC2)c1
InChIInChI=1S/C19H21NO/c1-15-7-6-9-16(13-15)19(21)18-10-3-2-8-17(18)14-20-11-4-5-12-20/h2-3,6-10,13H,4-5,11-12,14H2,1H3
InChIKeyMMIBBXVEQMFSAL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.82
Rot. Bonds4

About (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone

(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 24725235) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID24725235
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccccc2CN2CCCC2)c1
InChIInChI=1S/C19H21NO/c1-15-7-6-9-16(13-15)19(21)18-10-3-2-8-17(18)14-20-11-4-5-12-20/h2-3,6-10,13H,4-5,11-12,14H2,1H3
InChIKeyMMIBBXVEQMFSAL-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone
CID 24725519
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 24725235) is (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone is Cc1cccc(C(=O)c2ccccc2CN2CCCC2)c1.
What is the InChIKey of (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is MMIBBXVEQMFSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-7-6-9-16(13-15)19(21)18-10-3-2-8-17(18)14-20-11-4-5-12-20/h2-3,6-10,13H,4-5,11-12,14H2,1H3.
What are the key properties of (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 279.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).