3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one

C14H21NO — CID 116613183

IUPAC3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
SMILESCNCCc1ccccc1C(=O)CC(C)C
InChIInChI=1S/C14H21NO/c1-11(2)10-14(16)13-7-5-4-6-12(13)8-9-15-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyMCTUICATNVXSSO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds6

About 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one

3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one (PubChem CID 116613183) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
PubChem CID116613183
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
SMILESCNCCc1ccccc1C(=O)CC(C)C
InChIInChI=1S/C14H21NO/c1-11(2)10-14(16)13-7-5-4-6-12(13)8-9-15-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyMCTUICATNVXSSO-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]hexan-1-one
CID 116613243
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172
2-[2-(methylamino)ethyl]benzamide
CID 69094527
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547839
2-(2-methylpropoxy)ethyl 2-[2-(methylamino)ethyl]benzoate
CID 106448096
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one?
The IUPAC name of 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one (CID 116613183) is 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one?
The canonical SMILES for 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one is CNCCc1ccccc1C(=O)CC(C)C.
What is the InChIKey of 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one?
The InChIKey is MCTUICATNVXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)10-14(16)13-7-5-4-6-12(13)8-9-15-3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one?
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one is sourced from PubChem (CID 116613183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).