[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone

C15H21NO2 — CID 116613219

IUPAC[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone
SMILESCNCCc1ccccc1C(=O)C1CCOCC1
InChIInChI=1S/C15H21NO2/c1-16-9-6-12-4-2-3-5-14(12)15(17)13-7-10-18-11-8-13/h2-5,13,16H,6-11H2,1H3
InChIKeyWVKLBZZTPFAIAX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.06
Rot. Bonds5

About [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone

[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone (PubChem CID 116613219) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone
PubChem CID116613219
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone
SMILESCNCCc1ccccc1C(=O)C1CCOCC1
InChIInChI=1S/C15H21NO2/c1-16-9-6-12-4-2-3-5-14(12)15(17)13-7-10-18-11-8-13/h2-5,13,16H,6-11H2,1H3
InChIKeyWVKLBZZTPFAIAX-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
CID 116577414
N-methyl-2-[2-(methylamino)ethyl]-N-(oxan-4-yl)benzamide
CID 104547501
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
2-[2-(methylamino)ethyl]benzamide
CID 69094527
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
(2-bromophenyl)-(oxan-4-yl)methanone
CID 63936269
(2-aminophenyl)-(oxan-4-yl)methanone
CID 64834175
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774377
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone?
The IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone (CID 116613219) is [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone is CNCCc1ccccc1C(=O)C1CCOCC1.
What is the InChIKey of [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone?
The InChIKey is WVKLBZZTPFAIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-9-6-12-4-2-3-5-14(12)15(17)13-7-10-18-11-8-13/h2-5,13,16H,6-11H2,1H3.
What are the key properties of [2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone?
[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.06, 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]-(oxan-4-yl)methanone is sourced from PubChem (CID 116613219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).