3-amino-3-methyl-1-(2-methylphenyl)butan-2-one

C12H17NO — CID 116560190

IUPAC3-amino-3-methyl-1-(2-methylphenyl)butan-2-one
SMILESCc1ccccc1CC(=O)C(C)(C)N
InChIInChI=1S/C12H17NO/c1-9-6-4-5-7-10(9)8-11(14)12(2,3)13/h4-7H,8,13H2,1-3H3
InChIKeyLMTAPFCYNLIWCF-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.84
Rot. Bonds3

About 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one

3-amino-3-methyl-1-(2-methylphenyl)butan-2-one (PubChem CID 116560190) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(2-methylphenyl)butan-2-one
PubChem CID116560190
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-amino-3-methyl-1-(2-methylphenyl)butan-2-one
SMILESCc1ccccc1CC(=O)C(C)(C)N
InChIInChI=1S/C12H17NO/c1-9-6-4-5-7-10(9)8-11(14)12(2,3)13/h4-7H,8,13H2,1-3H3
InChIKeyLMTAPFCYNLIWCF-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one
CID 116558532
3,3-dimethyl-1-(2-methylphenyl)pentan-2-one
CID 62677864
2-(2-methylphenyl)acetic acid
CID 67440217
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104
1-tert-butylsulfanyl-3-(2-methylphenyl)propan-2-one
CID 65133763
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(2-methylphenyl)-N-oxoacetamide
CID 89001397
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
methyl 3-methoxy-3-methyl-2-[2-(2-methylphenyl)acetyl]oxybutanoate
CID 11426398
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one?
The IUPAC name of 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one (CID 116560190) is 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one.
What is the SMILES notation for 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one?
The canonical SMILES for 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one is Cc1ccccc1CC(=O)C(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one?
The InChIKey is LMTAPFCYNLIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-4-5-7-10(9)8-11(14)12(2,3)13/h4-7H,8,13H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one?
3-amino-3-methyl-1-(2-methylphenyl)butan-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(2-methylphenyl)butan-2-one is sourced from PubChem (CID 116560190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).