[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone

C16H18N2O — CID 116613160

IUPAC[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone
SMILESCNCCc1ccccc1C(=O)c1ccc(C)nc1
InChIInChI=1S/C16H18N2O/c1-12-7-8-14(11-18-12)16(19)15-6-4-3-5-13(15)9-10-17-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyNVPDATQMGPJQDB-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.38
Rot. Bonds5

About [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone

[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 116613160) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone
PubChem CID116613160
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone
SMILESCNCCc1ccccc1C(=O)c1ccc(C)nc1
InChIInChI=1S/C16H18N2O/c1-12-7-8-14(11-18-12)16(19)15-6-4-3-5-13(15)9-10-17-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyNVPDATQMGPJQDB-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone (CID 116613160) is [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone is CNCCc1ccccc1C(=O)c1ccc(C)nc1.
What is the InChIKey of [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is NVPDATQMGPJQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-7-8-14(11-18-12)16(19)15-6-4-3-5-13(15)9-10-17-2/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone?
[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116613160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).