3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one

C11H15ClN2O — CID 117325981

IUPAC3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one
SMILESCN(C)c1ccc(C(=O)CCN)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-14(2)10-4-3-8(7-9(10)12)11(15)5-6-13/h3-4,7H,5-6,13H2,1-2H3
InChIKeyJXZFZDYYDQRTML-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one

3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one (PubChem CID 117325981) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one
PubChem CID117325981
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one
SMILESCN(C)c1ccc(C(=O)CCN)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-14(2)10-4-3-8(7-9(10)12)11(15)5-6-13/h3-4,7H,5-6,13H2,1-2H3
InChIKeyJXZFZDYYDQRTML-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
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CID 117414134
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
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3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
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3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one (CID 117325981) is 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one is CN(C)c1ccc(C(=O)CCN)cc1Cl.
What is the InChIKey of 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one?
The InChIKey is JXZFZDYYDQRTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14(2)10-4-3-8(7-9(10)12)11(15)5-6-13/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one?
3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one has a molecular weight of 226.71 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one is sourced from PubChem (CID 117325981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).