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

C12H14ClNO — CID 44543271

IUPAC1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one
SMILESCC(NC1CC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
InChIKeyYKOZIWZLLJVPPD-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.66
Rot. Bonds4

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

1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one (PubChem CID 44543271) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one
PubChem CID44543271
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one
SMILESCC(NC1CC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
InChIKeyYKOZIWZLLJVPPD-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.66
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-(cyclopropylamino)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one (CID 44543271) is 1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one is CC(NC1CC1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one?
The InChIKey is YKOZIWZLLJVPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one?
1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one has a molecular weight of 223.70 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(cyclopropylamino)propan-1-one is sourced from PubChem (CID 44543271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).