1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone

C13H19NO — CID 43272204

IUPAC1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CC(C)C)cc1
InChIInChI=1S/C13H19NO/c1-10(2)9-14(4)13-7-5-12(6-8-13)11(3)15/h5-8,10H,9H2,1-4H3
InChIKeySYAXZFSNLDHVAB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.98
Rot. Bonds4

About 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone

1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone (PubChem CID 43272204) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
PubChem CID43272204
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CC(C)C)cc1
InChIInChI=1S/C13H19NO/c1-10(2)9-14(4)13-7-5-12(6-8-13)11(3)15/h5-8,10H,9H2,1-4H3
InChIKeySYAXZFSNLDHVAB-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone
CID 60967715
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
1-[4-[methyl(2-methylpropyl)amino]-3-nitrophenyl]ethanone
CID 43272207
N-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 123668191
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
CID 101131905
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
CID 161487029
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
CID 114468361
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461
1-(4-acetylphenyl)ethanone;methane
CID 159515104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone (CID 43272204) is 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)CC(C)C)cc1.
What is the InChIKey of 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone?
The InChIKey is SYAXZFSNLDHVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)9-14(4)13-7-5-12(6-8-13)11(3)15/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone?
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone has a molecular weight of 205.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone is sourced from PubChem (CID 43272204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).