2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one

C20H25NO — CID 82100631

IUPAC2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
SMILESCC(NCc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO/c1-15(21-14-16-8-6-5-7-9-16)19(22)17-10-12-18(13-11-17)20(2,3)4/h5-13,15,21H,14H2,1-4H3
InChIKeyOXHLFDIOLCFPKE-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.35
Rot. Bonds5

About 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one

2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one (PubChem CID 82100631) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
PubChem CID82100631
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
SMILESCC(NCc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO/c1-15(21-14-16-8-6-5-7-9-16)19(22)17-10-12-18(13-11-17)20(2,3)4/h5-13,15,21H,14H2,1-4H3
InChIKeyOXHLFDIOLCFPKE-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
(2S)-2-(benzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 155254846
2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 172677364
2-(benzylamino)-1-(4-methylsulfanylphenyl)propan-1-one;hydrochloride
CID 165361609
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
CID 82100622
1-(4-tert-butylphenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100653
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]carbamic acid
CID 141043389
1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
CID 82100647
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one?
The IUPAC name of 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one (CID 82100631) is 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one.
What is the SMILES notation for 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one?
The canonical SMILES for 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one is CC(NCc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one?
The InChIKey is OXHLFDIOLCFPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15(21-14-16-8-6-5-7-9-16)19(22)17-10-12-18(13-11-17)20(2,3)4/h5-13,15,21H,14H2,1-4H3.
What are the key properties of 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one?
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one has a molecular weight of 295.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one is sourced from PubChem (CID 82100631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).