1-[2-(3-methylphenyl)ethylamino]propan-2-one

C12H17NO — CID 115235071

IUPAC1-[2-(3-methylphenyl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1cccc(C)c1
InChIInChI=1S/C12H17NO/c1-10-4-3-5-12(8-10)6-7-13-9-11(2)14/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyBDYODIOXNCLDOY-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-(3-methylphenyl)ethylamino]propan-2-one

1-[2-(3-methylphenyl)ethylamino]propan-2-one (PubChem CID 115235071) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethylamino]propan-2-one
PubChem CID115235071
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[2-(3-methylphenyl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1cccc(C)c1
InChIInChI=1S/C12H17NO/c1-10-4-3-5-12(8-10)6-7-13-9-11(2)14/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyBDYODIOXNCLDOY-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.72
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-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916
(Z)-3-chloro-2-methyl-N-[2-(3-methylphenyl)ethyl]prop-2-en-1-amine
CID 106437692
N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
CID 62313193
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
(Z)-2-methyl-4-[2-(3-methylphenyl)ethylamino]but-2-enoic acid
CID 103247981
N,N-dimethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 55062373
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 62325702
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 103248005
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethylamino]propan-2-one?
The IUPAC name of 1-[2-(3-methylphenyl)ethylamino]propan-2-one (CID 115235071) is 1-[2-(3-methylphenyl)ethylamino]propan-2-one.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethylamino]propan-2-one?
The canonical SMILES for 1-[2-(3-methylphenyl)ethylamino]propan-2-one is CC(=O)CNCCc1cccc(C)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethylamino]propan-2-one?
The InChIKey is BDYODIOXNCLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-4-3-5-12(8-10)6-7-13-9-11(2)14/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of 1-[2-(3-methylphenyl)ethylamino]propan-2-one?
1-[2-(3-methylphenyl)ethylamino]propan-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethylamino]propan-2-one is sourced from PubChem (CID 115235071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).