[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C16H22N2O — CID 106313894

IUPAC[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCNCCc1ccccc1C(=O)N1CCC=C(C)C1
InChIInChI=1S/C16H22N2O/c1-13-6-5-11-18(12-13)16(19)15-8-4-3-7-14(15)9-10-17-2/h3-4,6-8,17H,5,9-12H2,1-2H3
InChIKeyCQXNZLJDKOEQFR-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.24
Rot. Bonds4

About [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106313894) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106313894
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCNCCc1ccccc1C(=O)N1CCC=C(C)C1
InChIInChI=1S/C16H22N2O/c1-13-6-5-11-18(12-13)16(19)15-8-4-3-7-14(15)9-10-17-2/h3-4,6-8,17H,5,9-12H2,1-2H3
InChIKeyCQXNZLJDKOEQFR-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547346
(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
[2-[2-(methylamino)ethyl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 104547371
(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 107219676
(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957626
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957473
3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one
CID 104547897
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
CID 104547616
[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774377

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106313894) is [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CNCCc1ccccc1C(=O)N1CCC=C(C)C1.
What is the InChIKey of [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is CQXNZLJDKOEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-6-5-11-18(12-13)16(19)15-8-4-3-7-14(15)9-10-17-2/h3-4,6-8,17H,5,9-12H2,1-2H3.
What are the key properties of [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106313894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).