2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride

C12H14Cl3NO — CID 90645576

IUPAC2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
SMILESCC(NC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H13Cl2NO.ClH/c1-7(15-9-3-4-9)12(16)8-2-5-10(13)11(14)6-8;/h2,5-7,9,15H,3-4H2,1H3;1H
InChIKeyFLUCPARIPICTSF-UHFFFAOYSA-N
MW294.61 g/mol
LogP3.74
Rot. Bonds4

About 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride

2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride (PubChem CID 90645576) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
PubChem CID90645576
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
SMILESCC(NC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H13Cl2NO.ClH/c1-7(15-9-3-4-9)12(16)8-2-5-10(13)11(14)6-8;/h2,5-7,9,15H,3-4H2,1H3;1H
InChIKeyFLUCPARIPICTSF-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride?
The IUPAC name of 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride (CID 90645576) is 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride is CC(NC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride?
The InChIKey is FLUCPARIPICTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO.ClH/c1-7(15-9-3-4-9)12(16)8-2-5-10(13)11(14)6-8;/h2,5-7,9,15H,3-4H2,1H3;1H.
What are the key properties of 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride?
2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride has a molecular weight of 294.61 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 90645576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).