1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one

C17H24BrNO — CID 63483558

IUPAC1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCCCC1N(C)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-13-5-3-4-6-16(13)19(2)12-11-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyXYNQIVPIZDSPRN-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.53
Rot. Bonds5

About 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one

1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one (PubChem CID 63483558) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
PubChem CID63483558
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCCCC1N(C)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-13-5-3-4-6-16(13)19(2)12-11-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyXYNQIVPIZDSPRN-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one (CID 63483558) is 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one is CC1CCCCC1N(C)CCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one?
The InChIKey is XYNQIVPIZDSPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-13-5-3-4-6-16(13)19(2)12-11-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one?
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one has a molecular weight of 338.29 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one is sourced from PubChem (CID 63483558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).