1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine

C17H20BrNO — CID 115800843

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrNO/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10,16H,9,19H2,1-3H3
InChIKeyTVFQTAJDKVJTME-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.32
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine

1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine (PubChem CID 115800843) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
PubChem CID115800843
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrNO/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10,16H,9,19H2,1-3H3
InChIKeyTVFQTAJDKVJTME-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-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
CID 115864418
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine (CID 115800843) is 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine is COc1cc(Br)ccc1C(N)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The InChIKey is TVFQTAJDKVJTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10,16H,9,19H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)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-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 115800843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).