4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one

C15H20BrNO2 — CID 79120425

IUPAC4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
SMILESCOc1ccc(Br)c(CN(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H20BrNO2/c1-17(12-3-5-13(18)6-4-12)10-11-9-14(19-2)7-8-15(11)16/h7-9,12H,3-6,10H2,1-2H3
InChIKeyYRCDTZLALHHZEI-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.40
Rot. Bonds4

About 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one

4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one (PubChem CID 79120425) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
PubChem CID79120425
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
SMILESCOc1ccc(Br)c(CN(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H20BrNO2/c1-17(12-3-5-13(18)6-4-12)10-11-9-14(19-2)7-8-15(11)16/h7-9,12H,3-6,10H2,1-2H3
InChIKeyYRCDTZLALHHZEI-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-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

N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 65326987
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120433
3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 104679407
trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
CID 65326761
N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine
CID 65327043
4-[(3-methoxy-5-nitrophenyl)methyl-methylamino]cyclohexan-1-one
CID 81144978
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65326023
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one (CID 79120425) is 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one is COc1ccc(Br)c(CN(C)C2CCC(=O)CC2)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one?
The InChIKey is YRCDTZLALHHZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-17(12-3-5-13(18)6-4-12)10-11-9-14(19-2)7-8-15(11)16/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one?
4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one has a molecular weight of 326.23 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one is sourced from PubChem (CID 79120425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).