1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine

C17H20BrNO2 — CID 104657422

IUPAC1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2cccc(OC)c2)cc1Br
InChIInChI=1S/C17H20BrNO2/c1-3-21-17-8-7-13(11-15(17)18)16(19)10-12-5-4-6-14(9-12)20-2/h4-9,11,16H,3,10,19H2,1-2H3
InChIKeyMARIMSJAIZKZNU-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.10
Rot. Bonds6

About 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine

1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 104657422) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
PubChem CID104657422
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2cccc(OC)c2)cc1Br
InChIInChI=1S/C17H20BrNO2/c1-3-21-17-8-7-13(11-15(17)18)16(19)10-12-5-4-6-14(9-12)20-2/h4-9,11,16H,3,10,19H2,1-2H3
InChIKeyMARIMSJAIZKZNU-UHFFFAOYSA-N
XLogP4.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137
1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43311411
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 104657305
2-bromo-4-[bromo-(3-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661798
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
CID 105034619
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine (CID 104657422) is 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine is CCOc1ccc(C(N)Cc2cccc(OC)c2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is MARIMSJAIZKZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-21-17-8-7-13(11-15(17)18)16(19)10-12-5-4-6-14(9-12)20-2/h4-9,11,16H,3,10,19H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 104657422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).