1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone

C15H22BrNO — CID 54999791

IUPAC1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
SMILESCC(C)CC(C)N(C)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-11(2)8-12(3)17(4)10-15(18)13-6-5-7-14(16)9-13/h5-7,9,11-12H,8,10H2,1-4H3
InChIKeyPGKYVAZBBNTBIL-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.00
Rot. Bonds6

About 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone

1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone (PubChem CID 54999791) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
PubChem CID54999791
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
SMILESCC(C)CC(C)N(C)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-11(2)8-12(3)17(4)10-15(18)13-6-5-7-14(16)9-13/h5-7,9,11-12H,8,10H2,1-4H3
InChIKeyPGKYVAZBBNTBIL-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone
CID 62978155
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
4-[2-[methyl(4-methylpentan-2-yl)amino]acetyl]benzonitrile
CID 54999693
1-(3-bromothiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999884
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
3-amino-1-(3-bromophenyl)butan-1-one
CID 81462573
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
CID 54999992
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanone
CID 62052225
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
CID 64639156

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone (CID 54999791) is 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone is CC(C)CC(C)N(C)CC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone?
The InChIKey is PGKYVAZBBNTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(2)8-12(3)17(4)10-15(18)13-6-5-7-14(16)9-13/h5-7,9,11-12H,8,10H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone?
1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone has a molecular weight of 312.25 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone is sourced from PubChem (CID 54999791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).