1-(3-aminophenyl)propan-1-one

C9H11NO — CID 2780884

IUPAC1-(3-aminophenyl)propan-1-one
SMILESCCC(=O)c1cccc(N)c1
InChIInChI=1S/C9H11NO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
InChIKeyCGXJUBDTCAAXAY-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.86
Rot. Bonds2

About 1-(3-aminophenyl)propan-1-one

1-(3-aminophenyl)propan-1-one (PubChem CID 2780884) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(3-aminophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminophenyl)propan-1-one
PubChem CID2780884
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(3-aminophenyl)propan-1-one
SMILESCCC(=O)c1cccc(N)c1
InChIInChI=1S/C9H11NO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
InChIKeyCGXJUBDTCAAXAY-UHFFFAOYSA-N
XLogP1.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)propan-1-one?
The IUPAC name of 1-(3-aminophenyl)propan-1-one (CID 2780884) is 1-(3-aminophenyl)propan-1-one.
What is the SMILES notation for 1-(3-aminophenyl)propan-1-one?
The canonical SMILES for 1-(3-aminophenyl)propan-1-one is CCC(=O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)propan-1-one?
The InChIKey is CGXJUBDTCAAXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3.
What are the key properties of 1-(3-aminophenyl)propan-1-one?
1-(3-aminophenyl)propan-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)propan-1-one is sourced from PubChem (CID 2780884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).