1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine

C17H20BrN — CID 115800850

IUPAC1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cc(Br)ccc2C)c1
InChIInChI=1S/C17H20BrN/c1-11-6-12(2)8-14(7-11)9-17(19)16-10-15(18)5-4-13(16)3/h4-8,10,17H,9,19H2,1-3H3
InChIKeyUQIYWTBGRNXPRD-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.62
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine

1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine (PubChem CID 115800850) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
PubChem CID115800850
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cc(Br)ccc2C)c1
InChIInChI=1S/C17H20BrN/c1-11-6-12(2)8-14(7-11)9-17(19)16-10-15(18)5-4-13(16)3/h4-8,10,17H,9,19H2,1-3H3
InChIKeyUQIYWTBGRNXPRD-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 65307292
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 107513293
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine (CID 115800850) is 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(CC(N)c2cc(Br)ccc2C)c1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The InChIKey is UQIYWTBGRNXPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-11-6-12(2)8-14(7-11)9-17(19)16-10-15(18)5-4-13(16)3/h4-8,10,17H,9,19H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 115800850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).