2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one

C14H21NO — CID 116613271

IUPAC2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
SMILESCNCCc1ccccc1C(=O)C(C)(C)C
InChIInChI=1S/C14H21NO/c1-14(2,3)13(16)12-8-6-5-7-11(12)9-10-15-4/h5-8,15H,9-10H2,1-4H3
InChIKeyXNZQBDOLXOFCOK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds4

About 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one

2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one (PubChem CID 116613271) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
PubChem CID116613271
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
SMILESCNCCc1ccccc1C(=O)C(C)(C)C
InChIInChI=1S/C14H21NO/c1-14(2,3)13(16)12-8-6-5-7-11(12)9-10-15-4/h5-8,15H,9-10H2,1-4H3
InChIKeyXNZQBDOLXOFCOK-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547692
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
N-(2-hydroxyethyl)-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 113425674
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one (CID 116613271) is 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one is CNCCc1ccccc1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one?
The InChIKey is XNZQBDOLXOFCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)13(16)12-8-6-5-7-11(12)9-10-15-4/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one?
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one is sourced from PubChem (CID 116613271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).