2-amino-1-phenylethanone;hydrochloride

C8H10ClNO — CID 2723597

IUPAC2-amino-1-phenylethanone;hydrochloride
SMILESCl.NCC(=O)c1ccccc1
InChIInChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKeyCVXGFPPAIUELDV-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.25
Rot. Bonds2

About 2-amino-1-phenylethanone;hydrochloride

2-amino-1-phenylethanone;hydrochloride (PubChem CID 2723597) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-amino-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-phenylethanone;hydrochloride
PubChem CID2723597
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-amino-1-phenylethanone;hydrochloride
SMILESCl.NCC(=O)c1ccccc1
InChIInChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKeyCVXGFPPAIUELDV-UHFFFAOYSA-N
XLogP1.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylethanone;hydrochloride?
The IUPAC name of 2-amino-1-phenylethanone;hydrochloride (CID 2723597) is 2-amino-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-phenylethanone;hydrochloride is Cl.NCC(=O)c1ccccc1.
What is the InChIKey of 2-amino-1-phenylethanone;hydrochloride?
The InChIKey is CVXGFPPAIUELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H.
What are the key properties of 2-amino-1-phenylethanone;hydrochloride?
2-amino-1-phenylethanone;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylethanone;hydrochloride is sourced from PubChem (CID 2723597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).