1-(4-ethylphenyl)-2-(methylamino)propan-1-one

C12H17NO — CID 71316576

IUPAC1-(4-ethylphenyl)-2-(methylamino)propan-1-one
SMILESCCc1ccc(C(=O)C(C)NC)cc1
InChIInChI=1S/C12H17NO/c1-4-10-5-7-11(8-6-10)12(14)9(2)13-3/h5-9,13H,4H2,1-3H3
InChIKeyFUYPDKFWOHBUFT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(methylamino)propan-1-one

1-(4-ethylphenyl)-2-(methylamino)propan-1-one (PubChem CID 71316576) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(methylamino)propan-1-one
PubChem CID71316576
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(4-ethylphenyl)-2-(methylamino)propan-1-one
SMILESCCc1ccc(C(=O)C(C)NC)cc1
InChIInChI=1S/C12H17NO/c1-4-10-5-7-11(8-6-10)12(14)9(2)13-3/h5-9,13H,4H2,1-3H3
InChIKeyFUYPDKFWOHBUFT-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-(methylamino)propan-1-one (CID 71316576) is 1-(4-ethylphenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-(methylamino)propan-1-one is CCc1ccc(C(=O)C(C)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(methylamino)propan-1-one?
The InChIKey is FUYPDKFWOHBUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10-5-7-11(8-6-10)12(14)9(2)13-3/h5-9,13H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(methylamino)propan-1-one?
1-(4-ethylphenyl)-2-(methylamino)propan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 71316576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).