2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one

C17H24BrNO — CID 64735603

IUPAC2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN(C)Cc2ccccc2Br)C(C)C1
InChIInChI=1S/C17H24BrNO/c1-12-8-13(2)15(17(20)9-12)11-19(3)10-14-6-4-5-7-16(14)18/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyBMDWLZFQYQAFSK-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.13
Rot. Bonds4

About 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one

2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64735603) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64735603
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN(C)Cc2ccccc2Br)C(C)C1
InChIInChI=1S/C17H24BrNO/c1-12-8-13(2)15(17(20)9-12)11-19(3)10-14-6-4-5-7-16(14)18/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyBMDWLZFQYQAFSK-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one
CID 64736206
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
2-[[benzyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64735593
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
CID 114421302
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62614610
(3S,5R)-3-[(2-bromophenyl)methyl-methylamino]-5-methyloxolan-2-one
CID 95277148
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64736787
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 64735209
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 13430

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one (CID 64735603) is 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one is CC1CC(=O)C(CN(C)Cc2ccccc2Br)C(C)C1.
What is the InChIKey of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is BMDWLZFQYQAFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12-8-13(2)15(17(20)9-12)11-19(3)10-14-6-4-5-7-16(14)18/h4-7,12-13,15H,8-11H2,1-3H3.
What are the key properties of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one?
2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 338.29 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64735603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).