1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine

C13H20BrNO2 — CID 113493311

IUPAC1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine
SMILESCCOCC(C)(N)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-4-17-9-13(2,15)8-10-5-6-12(16-3)11(14)7-10/h5-7H,4,8-9,15H2,1-3H3
InChIKeyROALDPJNLSQVGF-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.75
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine

1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine (PubChem CID 113493311) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine
PubChem CID113493311
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine
SMILESCCOCC(C)(N)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-4-17-9-13(2,15)8-10-5-6-12(16-3)11(14)7-10/h5-7H,4,8-9,15H2,1-3H3
InChIKeyROALDPJNLSQVGF-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725314
1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine
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1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine
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1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 63411408
(3-bromo-4-methoxyphenyl)methanamine
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1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
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2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63508796
ethyl 2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbut-3-enoate
CID 102639129
2-bromo-4-(tert-butylsulfanylmethyl)-1-methoxybenzene
CID 60675101
2-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149674
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
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CID 83926163

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine (CID 113493311) is 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine is CCOCC(C)(N)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine?
The InChIKey is ROALDPJNLSQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-4-17-9-13(2,15)8-10-5-6-12(16-3)11(14)7-10/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine?
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine has a molecular weight of 302.21 g/mol, XLogP of 2.75, 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-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine is sourced from PubChem (CID 113493311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).