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

C13H19NO — CID 82048669

IUPAC2-amino-1-(4-butan-2-ylphenyl)propan-1-one
SMILESCCC(C)c1ccc(C(=O)C(C)N)cc1
InChIInChI=1S/C13H19NO/c1-4-9(2)11-5-7-12(8-6-11)13(15)10(3)14/h5-10H,4,14H2,1-3H3
InChIKeyYUQBHOVQRHSFOM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds4

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

2-amino-1-(4-butan-2-ylphenyl)propan-1-one (PubChem CID 82048669) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-amino-1-(4-butan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-butan-2-ylphenyl)propan-1-one
PubChem CID82048669
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-amino-1-(4-butan-2-ylphenyl)propan-1-one
SMILESCCC(C)c1ccc(C(=O)C(C)N)cc1
InChIInChI=1S/C13H19NO/c1-4-9(2)11-5-7-12(8-6-11)13(15)10(3)14/h5-10H,4,14H2,1-3H3
InChIKeyYUQBHOVQRHSFOM-UHFFFAOYSA-N
XLogP2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-butan-2-ylphenyl)butan-1-one
CID 116915577
4-butan-2-ylbenzohydrazide
CID 83386529
1-(4-butan-2-ylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309340
amino 4-butan-2-ylbenzoate
CID 89484351
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
1-(4-butan-2-ylphenyl)-2,2-dimethylbutan-1-one
CID 55195816
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
4-(4-butan-2-ylphenyl)-3-(ethylamino)-4-oxobutanoic acid
CID 82322816
2-hydroxyethyl 4-butan-2-ylbenzoate
CID 116862879
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032
5-(4-butan-2-ylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82349312

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-butan-2-ylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(4-butan-2-ylphenyl)propan-1-one (CID 82048669) is 2-amino-1-(4-butan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-butan-2-ylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-butan-2-ylphenyl)propan-1-one is CCC(C)c1ccc(C(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-1-(4-butan-2-ylphenyl)propan-1-one?
The InChIKey is YUQBHOVQRHSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-9(2)11-5-7-12(8-6-11)13(15)10(3)14/h5-10H,4,14H2,1-3H3.
What are the key properties of 2-amino-1-(4-butan-2-ylphenyl)propan-1-one?
2-amino-1-(4-butan-2-ylphenyl)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-butan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 82048669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).