1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine

C15H22BrNO2 — CID 114825292

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCNC(c1cc(Br)c(C)cc1OC)C1COC(C)C1
InChIInChI=1S/C15H22BrNO2/c1-9-5-14(18-4)12(7-13(9)16)15(17-3)11-6-10(2)19-8-11/h5,7,10-11,15,17H,6,8H2,1-4H3
InChIKeySBAMGKANIGQLCT-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.45
Rot. Bonds4

About 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine

1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine (PubChem CID 114825292) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
PubChem CID114825292
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCNC(c1cc(Br)c(C)cc1OC)C1COC(C)C1
InChIInChI=1S/C15H22BrNO2/c1-9-5-14(18-4)12(7-13(9)16)15(17-3)11-6-10(2)19-8-11/h5,7,10-11,15,17H,6,8H2,1-4H3
InChIKeySBAMGKANIGQLCT-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65433147
1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114824998
N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 114825011
4-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 114826925
4-[(2-bromo-4,5-dimethoxyphenyl)-chloromethyl]-2-methyloxolane
CID 114826841
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825347
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 102828280
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 115817658
4-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]oxane
CID 65433192
N-[(5-fluoro-2-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825145

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine (CID 114825292) is 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine is CNC(c1cc(Br)c(C)cc1OC)C1COC(C)C1.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The InChIKey is SBAMGKANIGQLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-9-5-14(18-4)12(7-13(9)16)15(17-3)11-6-10(2)19-8-11/h5,7,10-11,15,17H,6,8H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine has a molecular weight of 328.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 114825292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).