1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine

C13H20BrNO2 — CID 64573817

IUPAC1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO2/c1-4-13(2,15)9-17-8-10-7-11(14)5-6-12(10)16-3/h5-7H,4,8-9,15H2,1-3H3
InChIKeyGKEFHIIIAZHIMU-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.10
Rot. Bonds6

About 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine

1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine (PubChem CID 64573817) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
PubChem CID64573817
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO2/c1-4-13(2,15)9-17-8-10-7-11(14)5-6-12(10)16-3/h5-7H,4,8-9,15H2,1-3H3
InChIKeyGKEFHIIIAZHIMU-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 162503231
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
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4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene
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2-(4-bromo-2-methoxyphenyl)butan-2-amine
CID 130134221
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
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CID 54971308
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CID 91742074
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
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4-bromo-1-methoxy-2-(pent-4-enoxymethyl)benzene
CID 79112669
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CID 10693794

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine (CID 64573817) is 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine is CCC(C)(N)COCc1cc(Br)ccc1OC.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine?
The InChIKey is GKEFHIIIAZHIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-4-13(2,15)9-17-8-10-7-11(14)5-6-12(10)16-3/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine?
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine has a molecular weight of 302.21 g/mol, XLogP of 3.10, 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-methoxyphenyl)methoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 64573817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).