1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one

C15H23NO — CID 115234971

IUPAC1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one
SMILESCC(=O)CNCCc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-12(2)10-15-6-4-14(5-7-15)8-9-16-11-13(3)17/h4-7,12,16H,8-11H2,1-3H3
InChIKeyMYTJFEVJMJETDL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.61
Rot. Bonds7

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

1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one (PubChem CID 115234971) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one
PubChem CID115234971
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one
SMILESCC(=O)CNCCc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-12(2)10-15-6-4-14(5-7-15)8-9-16-11-13(3)17/h4-7,12,16H,8-11H2,1-3H3
InChIKeyMYTJFEVJMJETDL-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.61
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

1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
4-[2-(2-oxopropylamino)ethyl]benzoic acid
CID 71393985
[2-[4-(2-methylpropyl)phenyl]ethylamino]methanethiol
CID 115228211
2-[4-(2-methylpropyl)phenyl]ethylcarbamothioic S-acid
CID 115170240
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
5-[[4-(2-methylpropyl)phenyl]methylamino]pentan-2-one
CID 115236449
2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
CID 115135445
3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 115162612
1-[2-(3-chloro-4-fluorophenyl)ethylamino]propan-2-one
CID 115235038
1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one?
The IUPAC name of 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one (CID 115234971) is 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one.
What is the SMILES notation for 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one?
The canonical SMILES for 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one is CC(=O)CNCCc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one?
The InChIKey is MYTJFEVJMJETDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)10-15-6-4-14(5-7-15)8-9-16-11-13(3)17/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one?
1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one is sourced from PubChem (CID 115234971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).