1-(3-bromophenyl)-2-(methylamino)propan-1-one

C10H12BrNO — CID 10354356

IUPAC1-(3-bromophenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-7(12-2)10(13)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3
InChIKeyPXLYROINIXKFAW-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.24
Rot. Bonds3

About 1-(3-bromophenyl)-2-(methylamino)propan-1-one

1-(3-bromophenyl)-2-(methylamino)propan-1-one (PubChem CID 10354356) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(methylamino)propan-1-one
PubChem CID10354356
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(3-bromophenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-7(12-2)10(13)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3
InChIKeyPXLYROINIXKFAW-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(3-bromophenyl)-2-(methylamino)propan-1-one (CID 10354356) is 1-(3-bromophenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(methylamino)propan-1-one?
The InChIKey is PXLYROINIXKFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7(12-2)10(13)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(methylamino)propan-1-one?
1-(3-bromophenyl)-2-(methylamino)propan-1-one has a molecular weight of 242.12 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 10354356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).