1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine

C17H20BrNO — CID 82975637

IUPAC1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1Oc1ccc(C)cc1C
InChIInChI=1S/C17H20BrNO/c1-11-5-7-16(12(2)9-11)20-17-8-6-14(18)10-15(17)13(3)19-4/h5-10,13,19H,1-4H3
InChIKeyVNNFIZDCFLXBLO-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.14
Rot. Bonds4

About 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine

1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine (PubChem CID 82975637) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
PubChem CID82975637
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1Oc1ccc(C)cc1C
InChIInChI=1S/C17H20BrNO/c1-11-5-7-16(12(2)9-11)20-17-8-6-14(18)10-15(17)13(3)19-4/h5-10,13,19H,1-4H3
InChIKeyVNNFIZDCFLXBLO-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82956465
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976164
1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
CID 107284810
1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976139
1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
CID 82970526
1-[5-bromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-methylethanamine
CID 106597369
1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine
CID 43285451
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine (CID 82975637) is 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1Oc1ccc(C)cc1C.
What is the InChIKey of 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine?
The InChIKey is VNNFIZDCFLXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-5-7-16(12(2)9-11)20-17-8-6-14(18)10-15(17)13(3)19-4/h5-10,13,19H,1-4H3.
What are the key properties of 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine?
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine has a molecular weight of 334.26 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 82975637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).