1-amino-1-(4-propan-2-ylphenyl)pentan-2-one

C14H21NO — CID 154651058

IUPAC1-amino-1-(4-propan-2-ylphenyl)pentan-2-one
SMILESCCCC(=O)C(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-5-13(16)14(15)12-8-6-11(7-9-12)10(2)3/h6-10,14H,4-5,15H2,1-3H3
InChIKeyJILIQXKJHMCCKE-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.18
Rot. Bonds5

About 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one

1-amino-1-(4-propan-2-ylphenyl)pentan-2-one (PubChem CID 154651058) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one.

Molecular Properties

Compound Name1-amino-1-(4-propan-2-ylphenyl)pentan-2-one
PubChem CID154651058
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-amino-1-(4-propan-2-ylphenyl)pentan-2-one
SMILESCCCC(=O)C(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-5-13(16)14(15)12-8-6-11(7-9-12)10(2)3/h6-10,14H,4-5,15H2,1-3H3
InChIKeyJILIQXKJHMCCKE-UHFFFAOYSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride
CID 139632536
1-amino-1-phenylheptan-2-one
CID 116551276
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
2-(4-methylphenyl)hexan-3-one
CID 83047098
1-(4-propan-2-ylphenyl)hexane-1,3-dione
CID 61393311
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
1-(4-chlorophenyl)-1-methoxypentan-2-one
CID 83225390
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide
CID 28770124
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one?
The IUPAC name of 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one (CID 154651058) is 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one.
What is the SMILES notation for 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one?
The canonical SMILES for 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one is CCCC(=O)C(N)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one?
The InChIKey is JILIQXKJHMCCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-13(16)14(15)12-8-6-11(7-9-12)10(2)3/h6-10,14H,4-5,15H2,1-3H3.
What are the key properties of 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one?
1-amino-1-(4-propan-2-ylphenyl)pentan-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-propan-2-ylphenyl)pentan-2-one is sourced from PubChem (CID 154651058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).