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

C14H21Br2NO2 — CID 79404179

IUPAC4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCC(C)Oc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C14H21Br2NO2/c1-4-17-7-5-6-10(2)19-14-9-11(15)13(18-3)8-12(14)16/h8-10,17H,4-7H2,1-3H3
InChIKeyLDSXFZVYYDNYPM-UHFFFAOYSA-N
MW395.14 g/mol
LogP4.38
Rot. Bonds8

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

4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine (PubChem CID 79404179) has the molecular formula C14H21Br2NO2 and a molecular weight of 395.14 g/mol. Its IUPAC name is 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine
PubChem CID79404179
Molecular FormulaC14H21Br2NO2
Molecular Weight395.14 g/mol
Exact Mass392.99
IUPAC Name4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCC(C)Oc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C14H21Br2NO2/c1-4-17-7-5-6-10(2)19-14-9-11(15)13(18-3)8-12(14)16/h8-10,17H,4-7H2,1-3H3
InChIKeyLDSXFZVYYDNYPM-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

4-(4-bromo-2-chloro-5-fluorophenoxy)-N-ethylpentan-1-amine
CID 114270959
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
CID 79415829
2-(2,5-dibromo-4-methoxyphenoxy)-N-prop-2-ynylpropan-1-amine
CID 79403408
4-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 55078163
(3R)-3-(2,5-dibromo-4-methoxyphenoxy)butanoic acid
CID 103548086
N'-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 113410172
2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine
CID 79404261
4-(2-bromo-4-fluorophenoxy)-N-tert-butylpentan-1-amine
CID 62451485
2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine
CID 103274245
2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
CID 83046199
5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine
CID 79403637

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine?
The IUPAC name of 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine (CID 79404179) is 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine.
What is the SMILES notation for 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine?
The canonical SMILES for 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine is CCNCCCC(C)Oc1cc(Br)c(OC)cc1Br.
What is the InChIKey of 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine?
The InChIKey is LDSXFZVYYDNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO2/c1-4-17-7-5-6-10(2)19-14-9-11(15)13(18-3)8-12(14)16/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine?
4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-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 4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine is sourced from PubChem (CID 79404179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).