1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine

C17H20BrNO — CID 63531961

IUPAC1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(C)c2C)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-11-6-5-7-16(12(11)2)20-17-9-8-14(10-15(17)18)13(3)19-4/h5-10,13,19H,1-4H3
InChIKeyYETWKPQOXWFPAR-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.14
Rot. Bonds4

About 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine

1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine (PubChem CID 63531961) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine
PubChem CID63531961
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(C)c2C)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-11-6-5-7-16(12(11)2)20-17-9-8-14(10-15(17)18)13(3)19-4/h5-10,13,19H,1-4H3
InChIKeyYETWKPQOXWFPAR-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-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 63532866
1-[3-bromo-4-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 62910673
1-[3-bromo-4-(3-bromo-5-fluorophenoxy)phenyl]-N-methylethanamine
CID 81332054
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
2-[4-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709122
1-[3-bromo-4-(2-propan-2-yloxyethoxy)phenyl]-N-methylethanamine
CID 62912403
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 62910856
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
(1S)-1-[3-bromo-4-(2,3,5-trimethylphenoxy)phenyl]ethanol
CID 78944847
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790
1-[3-chloro-4-(2,3,6-trimethylphenoxy)phenyl]-N-methylethanamine
CID 63533324
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine (CID 63531961) is 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cccc(C)c2C)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine?
The InChIKey is YETWKPQOXWFPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-6-5-7-16(12(11)2)20-17-9-8-14(10-15(17)18)13(3)19-4/h5-10,13,19H,1-4H3.
What are the key properties of 1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine?
1-[3-bromo-4-(2,3-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-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63531961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).