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

C10H12ClNO — CID 82100418

IUPAC1-(4-chlorophenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3
InChIKeyUEJBEYOXRNGPEI-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.13
Rot. Bonds3

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

1-(4-chlorophenyl)-2-(methylamino)propan-1-one (PubChem CID 82100418) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(methylamino)propan-1-one
PubChem CID82100418
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(4-chlorophenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3
InChIKeyUEJBEYOXRNGPEI-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.13
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
Cathinone hydrochloride
CID 11956149
Pentedrone
CID 57501499
3-Chloromethcathinone hydrochloride
CID 90645589

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(methylamino)propan-1-one (CID 82100418) is 1-(4-chlorophenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(methylamino)propan-1-one?
The InChIKey is UEJBEYOXRNGPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(methylamino)propan-1-one?
1-(4-chlorophenyl)-2-(methylamino)propan-1-one has a molecular weight of 197.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 82100418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).