1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one

C12H16ClNO — CID 82100387

IUPAC1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one
SMILESCC(C)NC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-4-6-11(13)7-5-10/h4-9,14H,1-3H3
InChIKeyAZTFYJYLDIQSAG-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one

1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one (PubChem CID 82100387) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one
PubChem CID82100387
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one
SMILESCC(C)NC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-4-6-11(13)7-5-10/h4-9,14H,1-3H3
InChIKeyAZTFYJYLDIQSAG-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bupropion
CID 444
Mephedrone
CID 45266826
Bupropion Hydrochloride
CID 62884
Monomethylpropion
CID 1576
Bupropion Hydrobromide
CID 11984562
Hydroxybupropion
CID 446
4-Methylethcathinone
CID 52988259
Buphedrone
CID 53249194
1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
Pentedrone
CID 57501499
3-Chloromethcathinone hydrochloride
CID 90645589
(R)-Bupropion
CID 688387

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one (CID 82100387) is 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one is CC(C)NC(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one?
The InChIKey is AZTFYJYLDIQSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-4-6-11(13)7-5-10/h4-9,14H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one?
1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one has a molecular weight of 225.72 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 82100387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).