[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone

C16H24N2O — CID 110441497

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C16H24N2O/c1-4-17(5-2)15-9-10-18(12-15)16(19)14-8-6-7-13(3)11-14/h6-8,11,15H,4-5,9-10,12H2,1-3H3
InChIKeyDQQLIYPGEKVDJN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds4

About [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone

[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 110441497) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
PubChem CID110441497
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C16H24N2O/c1-4-17(5-2)15-9-10-18(12-15)16(19)14-8-6-7-13(3)11-14/h6-8,11,15H,4-5,9-10,12H2,1-3H3
InChIKeyDQQLIYPGEKVDJN-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(diethylamino)pyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107029365
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 114801549
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(4-bromo-3-methylpiperidin-1-yl)-(3-methylphenyl)methanone
CID 114683315
(4-chloro-3-methylpiperidin-1-yl)-(3-methylphenyl)methanone
CID 114682944

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone (CID 110441497) is [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone is CCN(CC)C1CCN(C(=O)c2cccc(C)c2)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is DQQLIYPGEKVDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-17(5-2)15-9-10-18(12-15)16(19)14-8-6-7-13(3)11-14/h6-8,11,15H,4-5,9-10,12H2,1-3H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 110441497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).