1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one

C14H21NO — CID 115235084

IUPAC1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1ccc(C)c(C)c1C
InChIInChI=1S/C14H21NO/c1-10-5-6-14(13(4)12(10)3)7-8-15-9-11(2)16/h5-6,15H,7-9H2,1-4H3
InChIKeyANVFWWGUCARFHL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.33
Rot. Bonds5

About 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one

1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one (PubChem CID 115235084) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
PubChem CID115235084
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1ccc(C)c(C)c1C
InChIInChI=1S/C14H21NO/c1-10-5-6-14(13(4)12(10)3)7-8-15-9-11(2)16/h5-6,15H,7-9H2,1-4H3
InChIKeyANVFWWGUCARFHL-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.33
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

4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136210
1-[2-(2-fluorophenyl)ethylamino]propan-2-one
CID 115235072
2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115158323
5-[(2,3,4-trimethylphenyl)methylamino]pentan-2-one
CID 115236544
2-methyl-3-oxo-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanoic acid
CID 115164361
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
CID 115163128
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115176081
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
CID 115235079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one?
The IUPAC name of 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one (CID 115235084) is 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one.
What is the SMILES notation for 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one?
The canonical SMILES for 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one is CC(=O)CNCCc1ccc(C)c(C)c1C.
What is the InChIKey of 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one?
The InChIKey is ANVFWWGUCARFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-6-14(13(4)12(10)3)7-8-15-9-11(2)16/h5-6,15H,7-9H2,1-4H3.
What are the key properties of 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one?
1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one is sourced from PubChem (CID 115235084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).