2-(2-methylphenyl)propanamide;dihydrochloride

C10H15Cl2NO — CID 162317897

IUPAC2-(2-methylphenyl)propanamide;dihydrochloride
SMILESCc1ccccc1C(C)C(N)=O.Cl.Cl
InChIInChI=1S/C10H13NO.2ClH/c1-7-5-3-4-6-9(7)8(2)10(11)12;;/h3-6,8H,1-2H3,(H2,11,12);2*1H
InChIKeyXSBSXHMNOVGIDX-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.43
Rot. Bonds2

About 2-(2-methylphenyl)propanamide;dihydrochloride

2-(2-methylphenyl)propanamide;dihydrochloride (PubChem CID 162317897) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-(2-methylphenyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)propanamide;dihydrochloride
PubChem CID162317897
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name2-(2-methylphenyl)propanamide;dihydrochloride
SMILESCc1ccccc1C(C)C(N)=O.Cl.Cl
InChIInChI=1S/C10H13NO.2ClH/c1-7-5-3-4-6-9(7)8(2)10(11)12;;/h3-6,8H,1-2H3,(H2,11,12);2*1H
InChIKeyXSBSXHMNOVGIDX-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
2-bromo-2-(2-methylphenyl)acetamide
CID 19981756
2-hydroxy-4-(2-methylphenyl)pentan-3-one
CID 66769752
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide
CID 100829661
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
CID 174318100
1-hydroxy-3-methyl-1-(2-methylphenyl)butan-2-one
CID 59036554
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
3-methyl-4-(2-methylphenyl)pentanamide
CID 175805571
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
CID 81375406
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)propanamide;dihydrochloride?
The IUPAC name of 2-(2-methylphenyl)propanamide;dihydrochloride (CID 162317897) is 2-(2-methylphenyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)propanamide;dihydrochloride?
The canonical SMILES for 2-(2-methylphenyl)propanamide;dihydrochloride is Cc1ccccc1C(C)C(N)=O.Cl.Cl.
What is the InChIKey of 2-(2-methylphenyl)propanamide;dihydrochloride?
The InChIKey is XSBSXHMNOVGIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.2ClH/c1-7-5-3-4-6-9(7)8(2)10(11)12;;/h3-6,8H,1-2H3,(H2,11,12);2*1H.
What are the key properties of 2-(2-methylphenyl)propanamide;dihydrochloride?
2-(2-methylphenyl)propanamide;dihydrochloride has a molecular weight of 236.14 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)propanamide;dihydrochloride is sourced from PubChem (CID 162317897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).