1-[4-[2-(methylamino)propyl]phenyl]ethanone

C12H17NO — CID 3084584

IUPAC1-[4-[2-(methylamino)propyl]phenyl]ethanone
SMILESCNC(C)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H17NO/c1-9(13-3)8-11-4-6-12(7-5-11)10(2)14/h4-7,9,13H,8H2,1-3H3
InChIKeyCGQRHROGIPQUJJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-[2-(methylamino)propyl]phenyl]ethanone

1-[4-[2-(methylamino)propyl]phenyl]ethanone (PubChem CID 3084584) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[4-[2-(methylamino)propyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(methylamino)propyl]phenyl]ethanone
PubChem CID3084584
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[4-[2-(methylamino)propyl]phenyl]ethanone
SMILESCNC(C)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H17NO/c1-9(13-3)8-11-4-6-12(7-5-11)10(2)14/h4-7,9,13H,8H2,1-3H3
InChIKeyCGQRHROGIPQUJJ-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-[2-(methylamino)propyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(methylamino)propyl]phenyl]ethanone (CID 3084584) is 1-[4-[2-(methylamino)propyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(methylamino)propyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(methylamino)propyl]phenyl]ethanone is CNC(C)Cc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[2-(methylamino)propyl]phenyl]ethanone?
The InChIKey is CGQRHROGIPQUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(13-3)8-11-4-6-12(7-5-11)10(2)14/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 1-[4-[2-(methylamino)propyl]phenyl]ethanone?
1-[4-[2-(methylamino)propyl]phenyl]ethanone 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-[2-(methylamino)propyl]phenyl]ethanone is sourced from PubChem (CID 3084584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).