1-amino-1-(2-methylphenyl)propan-2-one

C10H13NO — CID 55295097

IUPAC1-amino-1-(2-methylphenyl)propan-2-one
SMILESCC(=O)C(N)c1ccccc1C
InChIInChI=1S/C10H13NO/c1-7-5-3-4-6-9(7)10(11)8(2)12/h3-6,10H,11H2,1-2H3
InChIKeyCTPRNTOSTRTHTF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.58
Rot. Bonds2

About 1-amino-1-(2-methylphenyl)propan-2-one

1-amino-1-(2-methylphenyl)propan-2-one (PubChem CID 55295097) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-amino-1-(2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(2-methylphenyl)propan-2-one
PubChem CID55295097
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-amino-1-(2-methylphenyl)propan-2-one
SMILESCC(=O)C(N)c1ccccc1C
InChIInChI=1S/C10H13NO/c1-7-5-3-4-6-9(7)10(11)8(2)12/h3-6,10H,11H2,1-2H3
InChIKeyCTPRNTOSTRTHTF-UHFFFAOYSA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylphenyl)prop-2-en-1-amine
CID 79190609
1-amino-1-(2-bromophenyl)propan-2-one
CID 116859743
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
1-amino-1-(2-ethylphenyl)propan-2-one
CID 55294273
2-amino-N-cyclopropyl-2-(2-methylphenyl)acetamide
CID 83532364
acetic acid;(2-methylphenyl)methanediol
CID 71361235
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one
CID 142068902
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
2-bromo-2-(2-methylphenyl)acetamide
CID 19981756

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methylphenyl)propan-2-one?
The IUPAC name of 1-amino-1-(2-methylphenyl)propan-2-one (CID 55295097) is 1-amino-1-(2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(2-methylphenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(2-methylphenyl)propan-2-one is CC(=O)C(N)c1ccccc1C.
What is the InChIKey of 1-amino-1-(2-methylphenyl)propan-2-one?
The InChIKey is CTPRNTOSTRTHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-3-4-6-9(7)10(11)8(2)12/h3-6,10H,11H2,1-2H3.
What are the key properties of 1-amino-1-(2-methylphenyl)propan-2-one?
1-amino-1-(2-methylphenyl)propan-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methylphenyl)propan-2-one is sourced from PubChem (CID 55295097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).