2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine

C15H22BrNO2 — CID 102633518

IUPAC2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO2/c1-17-13-5-3-4-6-15(13)19-10-11-9-12(16)7-8-14(11)18-2/h7-9,13,15,17H,3-6,10H2,1-2H3
InChIKeyXAADIEKKUFVEMZ-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.50
Rot. Bonds5

About 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine

2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine (PubChem CID 102633518) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
PubChem CID102633518
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO2/c1-17-13-5-3-4-6-15(13)19-10-11-9-12(16)7-8-14(11)18-2/h7-9,13,15,17H,3-6,10H2,1-2H3
InChIKeyXAADIEKKUFVEMZ-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633182
2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 54971608
4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene
CID 64730795
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786
3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine
CID 20628476
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine (CID 102633518) is 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine is CNC1CCCCC1OCc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine?
The InChIKey is XAADIEKKUFVEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17-13-5-3-4-6-15(13)19-10-11-9-12(16)7-8-14(11)18-2/h7-9,13,15,17H,3-6,10H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine?
2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).