(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one

C17H19NO — CID 95561132

IUPAC(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
SMILESCC[C@@H](C(=O)c1ccc(C)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H19NO/c1-3-16(13-8-10-15(18)11-9-13)17(19)14-6-4-12(2)5-7-14/h4-11,16H,3,18H2,1-2H3/t16-/m1/s1
InChIKeyDFTBHNKZOKAYKN-MRXNPFEDSA-N
MW253.35 g/mol
LogP3.95
Rot. Bonds4

About (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one

(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one (PubChem CID 95561132) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
PubChem CID95561132
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
SMILESCC[C@@H](C(=O)c1ccc(C)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H19NO/c1-3-16(13-8-10-15(18)11-9-13)17(19)14-6-4-12(2)5-7-14/h4-11,16H,3,18H2,1-2H3/t16-/m1/s1
InChIKeyDFTBHNKZOKAYKN-MRXNPFEDSA-N
XLogP3.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.95
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

[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811117
3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 116612692
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 4-aminobenzoate
CID 7781004
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-aminobenzoate
CID 51980309
ethane;4-methylaniline;propanoic acid
CID 143544103
3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one
CID 103458462
N-acetyl-2-(4-methylphenyl)butanamide
CID 176949258

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one?
The IUPAC name of (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one (CID 95561132) is (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one.
What is the SMILES notation for (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one?
The canonical SMILES for (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one is CC[C@@H](C(=O)c1ccc(C)cc1)c1ccc(N)cc1.
What is the InChIKey of (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one?
The InChIKey is DFTBHNKZOKAYKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-16(13-8-10-15(18)11-9-13)17(19)14-6-4-12(2)5-7-14/h4-11,16H,3,18H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one?
(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one has a molecular weight of 253.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 95561132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).