2-amino-1-(2-methylphenyl)ethanone;hydrochloride

C9H12ClNO — CID 44630937

IUPAC2-amino-1-(2-methylphenyl)ethanone;hydrochloride
SMILESCc1ccccc1C(=O)CN.Cl
InChIInChI=1S/C9H11NO.ClH/c1-7-4-2-3-5-8(7)9(11)6-10;/h2-5H,6,10H2,1H3;1H
InChIKeyUPRMFZCAVXMYSH-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.56
Rot. Bonds2

About 2-amino-1-(2-methylphenyl)ethanone;hydrochloride

2-amino-1-(2-methylphenyl)ethanone;hydrochloride (PubChem CID 44630937) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-amino-1-(2-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-methylphenyl)ethanone;hydrochloride
PubChem CID44630937
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-amino-1-(2-methylphenyl)ethanone;hydrochloride
SMILESCc1ccccc1C(=O)CN.Cl
InChIInChI=1S/C9H11NO.ClH/c1-7-4-2-3-5-8(7)9(11)6-10;/h2-5H,6,10H2,1H3;1H
InChIKeyUPRMFZCAVXMYSH-UHFFFAOYSA-N
XLogP1.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(2-methylphenyl)ethanone;hydrochloride (CID 44630937) is 2-amino-1-(2-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(2-methylphenyl)ethanone;hydrochloride is Cc1ccccc1C(=O)CN.Cl.
What is the InChIKey of 2-amino-1-(2-methylphenyl)ethanone;hydrochloride?
The InChIKey is UPRMFZCAVXMYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-7-4-2-3-5-8(7)9(11)6-10;/h2-5H,6,10H2,1H3;1H.
What are the key properties of 2-amino-1-(2-methylphenyl)ethanone;hydrochloride?
2-amino-1-(2-methylphenyl)ethanone;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 44630937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).