1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one

C14H21NO — CID 115234952

IUPAC1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)14-6-4-13(5-7-14)8-9-15-10-12(3)16/h4-7,11,15H,8-10H2,1-3H3
InChIKeyDKTNMFILKCVSJD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.53
Rot. Bonds6

About 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one

1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one (PubChem CID 115234952) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
PubChem CID115234952
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)14-6-4-13(5-7-14)8-9-15-10-12(3)16/h4-7,11,15H,8-10H2,1-3H3
InChIKeyDKTNMFILKCVSJD-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one
CID 115234971
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
4-[2-(2-oxopropylamino)ethyl]benzoic acid
CID 71393985
2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
4-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]benzoic acid
CID 122030006
2,2-dimethyl-4-[2-(4-propan-2-ylphenyl)ethylamino]butanoic acid
CID 122127310
N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115261061
3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 47098552
1-[2-(3-chloro-4-fluorophenyl)ethylamino]propan-2-one
CID 115235038
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one (CID 115234952) is 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one is CC(=O)CNCCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one?
The InChIKey is DKTNMFILKCVSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)14-6-4-13(5-7-14)8-9-15-10-12(3)16/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one?
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one is sourced from PubChem (CID 115234952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).