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

C12H19NO — CID 145257024

IUPAC1-(3-aminophenyl)propan-1-one;propane
SMILESCCC.CCC(=O)c1cccc(N)c1
InChIInChI=1S/C9H11NO.C3H8/c1-2-9(11)7-4-3-5-8(10)6-7;1-3-2/h3-6H,2,10H2,1H3;3H2,1-2H3
InChIKeyOZMDHZJNDSOOPP-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.28
Rot. Bonds2

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

1-(3-aminophenyl)propan-1-one;propane (PubChem CID 145257024) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)propan-1-one;propane.

Molecular Properties

Compound Name1-(3-aminophenyl)propan-1-one;propane
PubChem CID145257024
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(3-aminophenyl)propan-1-one;propane
SMILESCCC.CCC(=O)c1cccc(N)c1
InChIInChI=1S/C9H11NO.C3H8/c1-2-9(11)7-4-3-5-8(10)6-7;1-3-2/h3-6H,2,10H2,1H3;3H2,1-2H3
InChIKeyOZMDHZJNDSOOPP-UHFFFAOYSA-N
XLogP3.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)decan-1-one
CID 116548502
1-(3-aminophenyl)undecan-1-one
CID 116548557
1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
CID 174428034
1-(3-aminophenyl)-3-bromopropan-1-one
CID 67069014
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
4-(3-aminophenyl)-4-oxo-N-propylbutanamide
CID 94262243
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
CID 54912702
3-aminobenzoic acid;ethoxyethane
CID 70021717
(3-aminobenzoyl)azanium
CID 142343873
1-(4-aminophenyl)propan-1-one
CID 6270

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)propan-1-one;propane?
The IUPAC name of 1-(3-aminophenyl)propan-1-one;propane (CID 145257024) is 1-(3-aminophenyl)propan-1-one;propane.
What is the SMILES notation for 1-(3-aminophenyl)propan-1-one;propane?
The canonical SMILES for 1-(3-aminophenyl)propan-1-one;propane is CCC.CCC(=O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)propan-1-one;propane?
The InChIKey is OZMDHZJNDSOOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C3H8/c1-2-9(11)7-4-3-5-8(10)6-7;1-3-2/h3-6H,2,10H2,1H3;3H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)propan-1-one;propane?
1-(3-aminophenyl)propan-1-one;propane has a molecular weight of 193.29 g/mol, XLogP of 3.28, 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;propane is sourced from PubChem (CID 145257024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).