1-(3-chlorophenyl)-2-(propylamino)propan-1-one

C12H16ClNO — CID 44543270

IUPAC1-(3-chlorophenyl)-2-(propylamino)propan-1-one
SMILESCCCNC(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-3-7-14-9(2)12(15)10-5-4-6-11(13)8-10/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyPJSOCXYIJJIWHO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.91
Rot. Bonds5

About 1-(3-chlorophenyl)-2-(propylamino)propan-1-one

1-(3-chlorophenyl)-2-(propylamino)propan-1-one (PubChem CID 44543270) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(propylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(propylamino)propan-1-one
PubChem CID44543270
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(3-chlorophenyl)-2-(propylamino)propan-1-one
SMILESCCCNC(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-3-7-14-9(2)12(15)10-5-4-6-11(13)8-10/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyPJSOCXYIJJIWHO-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(propylamino)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(propylamino)propan-1-one (CID 44543270) is 1-(3-chlorophenyl)-2-(propylamino)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(propylamino)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(propylamino)propan-1-one is CCCNC(C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(propylamino)propan-1-one?
The InChIKey is PJSOCXYIJJIWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-7-14-9(2)12(15)10-5-4-6-11(13)8-10/h4-6,8-9,14H,3,7H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(propylamino)propan-1-one?
1-(3-chlorophenyl)-2-(propylamino)propan-1-one has a molecular weight of 225.72 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(propylamino)propan-1-one is sourced from PubChem (CID 44543270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).