1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one

C14H21NO — CID 116577339

IUPAC1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)c1ccccc1CCN
InChIInChI=1S/C14H21NO/c1-11(2)7-8-14(16)13-6-4-3-5-12(13)9-10-15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyJNEYUDPVZRQIFL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.81
Rot. Bonds6

About 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one

1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one (PubChem CID 116577339) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
PubChem CID116577339
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)c1ccccc1CCN
InChIInChI=1S/C14H21NO/c1-11(2)7-8-14(16)13-6-4-3-5-12(13)9-10-15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyJNEYUDPVZRQIFL-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone
CID 116577397
1-[2-(2-aminoethyl)phenyl]-3-propylsulfonylpropan-1-one
CID 106736494
1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one
CID 116577352
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
1-[2-(2-aminoethyl)phenyl]-3-cyclopentylpropan-1-one
CID 114193576
2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490268
1-[2-(2-aminoethyl)phenyl]oct-7-en-1-one
CID 107010889
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
CID 116577372
2-[1-[2-(2-aminoethyl)benzoyl]azetidin-3-yl]propanoic acid
CID 116682336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one (CID 116577339) is 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one is CC(C)CCC(=O)c1ccccc1CCN.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one?
The InChIKey is JNEYUDPVZRQIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)7-8-14(16)13-6-4-3-5-12(13)9-10-15/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one?
1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one is sourced from PubChem (CID 116577339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).