1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one

C14H20BrNO2 — CID 54946475

IUPAC1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one
SMILESCOCC(C)N(C)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-10(9-18-4)16(3)11(2)14(17)12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyCCYYNGSEDSIGLQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.99
Rot. Bonds6

About 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one

1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one (PubChem CID 54946475) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one
PubChem CID54946475
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one
SMILESCOCC(C)N(C)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-10(9-18-4)16(3)11(2)14(17)12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyCCYYNGSEDSIGLQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one
CID 55010736
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 104552670
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
CID 55010167
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55010842
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 63568429
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108
3-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050757
(2S)-3-(4-bromophenyl)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxopropanamide
CID 98449780
6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
CID 115283107
3-amino-1-(4-bromophenyl)-4-methoxybutan-1-one
CID 112629826

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one (CID 54946475) is 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one is COCC(C)N(C)C(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one?
The InChIKey is CCYYNGSEDSIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(9-18-4)16(3)11(2)14(17)12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one?
1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one has a molecular weight of 314.22 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one is sourced from PubChem (CID 54946475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).