1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride

C10H13Cl2NO — CID 90645589

IUPAC1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride
SMILESCNC(C)C(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C10H12ClNO.ClH/c1-7(12-2)10(13)8-4-3-5-9(11)6-8;/h3-7,12H,1-2H3;1H
InChIKeyQXEPSICDXPPHTO-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.55
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride

1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride (PubChem CID 90645589) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride
PubChem CID90645589
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride
SMILESCNC(C)C(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C10H12ClNO.ClH/c1-7(12-2)10(13)8-4-3-5-9(11)6-8;/h3-7,12H,1-2H3;1H
InChIKeyQXEPSICDXPPHTO-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride (CID 90645589) is 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride is CNC(C)C(=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride?
The InChIKey is QXEPSICDXPPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO.ClH/c1-7(12-2)10(13)8-4-3-5-9(11)6-8;/h3-7,12H,1-2H3;1H.
What are the key properties of 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride?
1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 90645589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).