1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine

C17H20BrNO2 — CID 43118218

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
SMILESCOc1cc(Br)c(C(N)Cc2ccccc2C)cc1OC
InChIInChI=1S/C17H20BrNO2/c1-11-6-4-5-7-12(11)8-15(19)13-9-16(20-2)17(21-3)10-14(13)18/h4-7,9-10,15H,8,19H2,1-3H3
InChIKeySLXNAGYVQPPUJC-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.02
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 43118218) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
PubChem CID43118218
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
SMILESCOc1cc(Br)c(C(N)Cc2ccccc2C)cc1OC
InChIInChI=1S/C17H20BrNO2/c1-11-6-4-5-7-12(11)8-15(19)13-9-16(20-2)17(21-3)10-14(13)18/h4-7,9-10,15H,8,19H2,1-3H3
InChIKeySLXNAGYVQPPUJC-UHFFFAOYSA-N
XLogP4.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 43118220
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
CID 65440683
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
CID 54935342
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
methyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 61149652
2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62789714

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine (CID 43118218) is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine is COc1cc(Br)c(C(N)Cc2ccccc2C)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is SLXNAGYVQPPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-6-4-5-7-12(11)8-15(19)13-9-16(20-2)17(21-3)10-14(13)18/h4-7,9-10,15H,8,19H2,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43118218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).