1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine

C17H20BrNO — CID 115826789

IUPAC1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cc(Br)ccc1C
InChIInChI=1S/C17H20BrNO/c1-11-4-7-17(20-3)13(8-11)9-16(19)15-10-14(18)6-5-12(15)2/h4-8,10,16H,9,19H2,1-3H3
InChIKeyKNPBAFGYXLYRKN-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.32
Rot. Bonds4

About 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine

1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 115826789) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID115826789
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cc(Br)ccc1C
InChIInChI=1S/C17H20BrNO/c1-11-4-7-17(20-3)13(8-11)9-16(19)15-10-14(18)6-5-12(15)2/h4-8,10,16H,9,19H2,1-3H3
InChIKeyKNPBAFGYXLYRKN-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107968058
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817066
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105110402

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 115826789) is 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CC(N)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is KNPBAFGYXLYRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-4-7-17(20-3)13(8-11)9-16(19)15-10-14(18)6-5-12(15)2/h4-8,10,16H,9,19H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.32, 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-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 115826789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).