1-[4-(1-aminoethyl)phenyl]ethanone

C10H13NO — CID 45086260

IUPAC1-[4-(1-aminoethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C10H13NO/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-7H,11H2,1-2H3
InChIKeyKOMCDPPOHOQBSF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.91
Rot. Bonds2

About 1-[4-(1-aminoethyl)phenyl]ethanone

1-[4-(1-aminoethyl)phenyl]ethanone (PubChem CID 45086260) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]ethanone
PubChem CID45086260
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-[4-(1-aminoethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C10H13NO/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-7H,11H2,1-2H3
InChIKeyKOMCDPPOHOQBSF-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine
CID 172954203
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
1-(4-acetylphenyl)ethanone;methane
CID 159515104
2-(4-acetylphenyl)propanethioic S-acid
CID 87997644
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851
1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone
CID 23570467
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
CID 170874850
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]ethanone (CID 45086260) is 1-[4-(1-aminoethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]ethanone is CC(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]ethanone?
The InChIKey is KOMCDPPOHOQBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-7H,11H2,1-2H3.
What are the key properties of 1-[4-(1-aminoethyl)phenyl]ethanone?
1-[4-(1-aminoethyl)phenyl]ethanone has a molecular weight of 163.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]ethanone is sourced from PubChem (CID 45086260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).