1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one

C18H26BrNO — CID 63566115

IUPAC1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one
SMILESCC1CCCCC1N(C)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H26BrNO/c1-14-6-3-4-7-17(14)20(2)13-5-8-18(21)15-9-11-16(19)12-10-15/h9-12,14,17H,3-8,13H2,1-2H3
InChIKeyOJLBQXWBSXXEMH-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.92
Rot. Bonds6

About 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one

1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one (PubChem CID 63566115) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one
PubChem CID63566115
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one
SMILESCC1CCCCC1N(C)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H26BrNO/c1-14-6-3-4-7-17(14)20(2)13-5-8-18(21)15-9-11-16(19)12-10-15/h9-12,14,17H,3-8,13H2,1-2H3
InChIKeyOJLBQXWBSXXEMH-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63483558
1-(4-bromophenyl)-4-[methyl(oxan-2-ylmethyl)amino]butan-1-one
CID 61432303
1-(4-bromophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]butan-1-one
CID 43229281
1-(4-bromophenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]butan-1-one
CID 43229286
1-(4-bromophenyl)-4-[methyl(oxan-4-ylmethyl)amino]butan-1-one
CID 63711732
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
1-(4-bromophenyl)-4-[cyclopropyl(cyclopropylmethyl)amino]butan-1-one
CID 64522575
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617810
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
1-(4-bromophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butan-1-one
CID 79389968
1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
CID 62612491
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one (CID 63566115) is 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one is CC1CCCCC1N(C)CCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one?
The InChIKey is OJLBQXWBSXXEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-14-6-3-4-7-17(14)20(2)13-5-8-18(21)15-9-11-16(19)12-10-15/h9-12,14,17H,3-8,13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one?
1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one has a molecular weight of 352.32 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[methyl-(2-methylcyclohexyl)amino]butan-1-one is sourced from PubChem (CID 63566115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).