1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine

C13H20BrNO — CID 116726195

IUPAC1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)Cc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-4-16-13(2,3)12(15)9-10-6-5-7-11(14)8-10/h5-8,12H,4,9,15H2,1-3H3
InChIKeyVBFRDPMXFMMSIY-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.13
Rot. Bonds5

About 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine

1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine (PubChem CID 116726195) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
PubChem CID116726195
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)Cc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-4-16-13(2,3)12(15)9-10-6-5-7-11(14)8-10/h5-8,12H,4,9,15H2,1-3H3
InChIKeyVBFRDPMXFMMSIY-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine
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1-(3-bromophenyl)-3-ethoxybutan-2-amine
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1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
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CID 170888459
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CID 62601843
1-bromo-3-(2-bromo-3,3-dimethylbutyl)benzene
CID 63530904
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940760
1-bromo-3-[2-(bromomethyl)butyl]benzene
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1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine (CID 116726195) is 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine is CCOC(C)(C)C(N)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine?
The InChIKey is VBFRDPMXFMMSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-16-13(2,3)12(15)9-10-6-5-7-11(14)8-10/h5-8,12H,4,9,15H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine?
1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 116726195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).