1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine

C17H20BrNO2 — CID 43311411

IUPAC1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCCOc1ccc(Br)cc1C(N)Cc1cccc(OC)c1
InChIInChI=1S/C17H20BrNO2/c1-3-21-17-8-7-13(18)11-15(17)16(19)10-12-5-4-6-14(9-12)20-2/h4-9,11,16H,3,10,19H2,1-2H3
InChIKeyCGXDMZSEBXUOIO-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.10
Rot. Bonds6

About 1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine

1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 43311411) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
PubChem CID43311411
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCCOc1ccc(Br)cc1C(N)Cc1cccc(OC)c1
InChIInChI=1S/C17H20BrNO2/c1-3-21-17-8-7-13(18)11-15(17)16(19)10-12-5-4-6-14(9-12)20-2/h4-9,11,16H,3,10,19H2,1-2H3
InChIKeyCGXDMZSEBXUOIO-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-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine
CID 63507981
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447610
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-phenylpropan-2-ol
CID 171262949
4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
CID 63443048

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine (CID 43311411) is 1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine is CCOc1ccc(Br)cc1C(N)Cc1cccc(OC)c1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is CGXDMZSEBXUOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-21-17-8-7-13(18)11-15(17)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-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
1-(5-bromo-2-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-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 43311411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).