2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine

C11H15Br2NO2 — CID 104523396

IUPAC2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
SMILESCOc1cc(Br)c(OC(C)(C)CN)cc1Br
InChIInChI=1S/C11H15Br2NO2/c1-11(2,6-14)16-10-5-7(12)9(15-3)4-8(10)13/h4-5H,6,14H2,1-3H3
InChIKeyUATMMRODYAYFLY-UHFFFAOYSA-N
MW353.05 g/mol
LogP3.34
Rot. Bonds4

About 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine

2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine (PubChem CID 104523396) has the molecular formula C11H15Br2NO2 and a molecular weight of 353.05 g/mol. Its IUPAC name is 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
PubChem CID104523396
Molecular FormulaC11H15Br2NO2
Molecular Weight353.05 g/mol
Exact Mass350.95
IUPAC Name2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
SMILESCOc1cc(Br)c(OC(C)(C)CN)cc1Br
InChIInChI=1S/C11H15Br2NO2/c1-11(2,6-14)16-10-5-7(12)9(15-3)4-8(10)13/h4-5H,6,14H2,1-3H3
InChIKeyUATMMRODYAYFLY-UHFFFAOYSA-N
XLogP3.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine
CID 113408887
2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
CID 79415829
1-amino-2-(4-bromo-2,5-dimethoxyphenyl)ethane-1,1-diol
CID 167477101
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
CID 79403989
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]ethanamine
CID 43249544
1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 114496104
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine (CID 104523396) is 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine is COc1cc(Br)c(OC(C)(C)CN)cc1Br.
What is the InChIKey of 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine?
The InChIKey is UATMMRODYAYFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2/c1-11(2,6-14)16-10-5-7(12)9(15-3)4-8(10)13/h4-5H,6,14H2,1-3H3.
What are the key properties of 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine?
2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine has a molecular weight of 353.05 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 104523396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).