[3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone

C21H25FN2O — CID 166619219

IUPAC[3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(CC2CCN(C(=O)c3cccc(N(C)C)c3)C2)cc1F
InChIInChI=1S/C21H25FN2O/c1-15-7-8-16(12-20(15)22)11-17-9-10-24(14-17)21(25)18-5-4-6-19(13-18)23(2)3/h4-8,12-13,17H,9-11,14H2,1-3H3
InChIKeyHUTGATLVKMRKED-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.90
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 166619219) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID166619219
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name[3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(CC2CCN(C(=O)c3cccc(N(C)C)c3)C2)cc1F
InChIInChI=1S/C21H25FN2O/c1-15-7-8-16(12-20(15)22)11-17-9-10-24(14-17)21(25)18-5-4-6-19(13-18)23(2)3/h4-8,12-13,17H,9-11,14H2,1-3H3
InChIKeyHUTGATLVKMRKED-UHFFFAOYSA-N
XLogP3.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166623325
[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618457
(2,6-dimethoxyphenyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166618521
(1-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619910
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
1-[4-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 166624366
3-[3-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzoic acid
CID 120691977
N-[4-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 166621951
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
(2-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166616429
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 166618895

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone (CID 166619219) is [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone is Cc1ccc(CC2CCN(C(=O)c3cccc(N(C)C)c3)C2)cc1F.
What is the InChIKey of [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is HUTGATLVKMRKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-15-7-8-16(12-20(15)22)11-17-9-10-24(14-17)21(25)18-5-4-6-19(13-18)23(2)3/h4-8,12-13,17H,9-11,14H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 340.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166619219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).