2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine

C14H21Br2NO2 — CID 79404261

IUPAC2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)Oc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C14H21Br2NO2/c1-4-6-17-9-10(5-2)19-14-8-11(15)13(18-3)7-12(14)16/h7-8,10,17H,4-6,9H2,1-3H3
InChIKeyAKEITGGFRWARDS-UHFFFAOYSA-N
MW395.14 g/mol
LogP4.38
Rot. Bonds8

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

2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine (PubChem CID 79404261) has the molecular formula C14H21Br2NO2 and a molecular weight of 395.14 g/mol. Its IUPAC name is 2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine
PubChem CID79404261
Molecular FormulaC14H21Br2NO2
Molecular Weight395.14 g/mol
Exact Mass392.99
IUPAC Name2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)Oc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C14H21Br2NO2/c1-4-6-17-9-10(5-2)19-14-8-11(15)13(18-3)7-12(14)16/h7-8,10,17H,4-6,9H2,1-3H3
InChIKeyAKEITGGFRWARDS-UHFFFAOYSA-N
XLogP4.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dibromo-4-methoxyphenoxy)-2-methyl-N-propylpropan-1-amine
CID 79403153
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
CID 83046199
2-(4-bromophenoxy)-N-propylbutan-1-amine
CID 62454410
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
2-[(3-bromo-4-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 62531151
5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine
CID 79403637
2-(4-bromo-2,5-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 107661120
2-(2-methoxy-4-methylphenoxy)-N-propylpentan-1-amine
CID 83046472
2-methoxy-N-propylbutan-1-amine
CID 62446369
4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine
CID 79404179
2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
CID 62459460

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine?
The IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine (CID 79404261) is 2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine?
The canonical SMILES for 2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine is CCCNCC(CC)Oc1cc(Br)c(OC)cc1Br.
What is the InChIKey of 2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine?
The InChIKey is AKEITGGFRWARDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO2/c1-4-6-17-9-10(5-2)19-14-8-11(15)13(18-3)7-12(14)16/h7-8,10,17H,4-6,9H2,1-3H3.
What are the key properties of 2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine?
2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine has a molecular weight of 395.14 g/mol, XLogP of 4.38, 8 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)-N-propylbutan-1-amine is sourced from PubChem (CID 79404261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).