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

C15H23Br2NO2 — CID 79403637

IUPAC5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C15H23Br2NO2/c1-3-7-18-8-5-4-6-9-20-15-11-12(16)14(19-2)10-13(15)17/h10-11,18H,3-9H2,1-2H3
InChIKeyRZGWQTCXMCLDMA-UHFFFAOYSA-N
MW409.16 g/mol
LogP4.77
Rot. Bonds10

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

5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine (PubChem CID 79403637) has the molecular formula C15H23Br2NO2 and a molecular weight of 409.16 g/mol. Its IUPAC name is 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine
PubChem CID79403637
Molecular FormulaC15H23Br2NO2
Molecular Weight409.16 g/mol
Exact Mass407.01
IUPAC Name5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C15H23Br2NO2/c1-3-7-18-8-5-4-6-9-20-15-11-12(16)14(19-2)10-13(15)17/h10-11,18H,3-9H2,1-2H3
InChIKeyRZGWQTCXMCLDMA-UHFFFAOYSA-N
XLogP4.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.16
LogP ≤ 54.77
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

N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 79406822
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 79403943
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]prop-2-en-1-amine
CID 79403871
3-(2,5-dibromo-4-methoxyphenoxy)-2-methyl-N-propylpropan-1-amine
CID 79403153
1,4-dibromo-2,5-dihexoxybenzene;1,3,5-tribromobenzene
CID 161271933
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
1,2,4-tribromo-5-butoxybenzene
CID 101293487

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine (CID 79403637) is 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine is CCCNCCCCCOc1cc(Br)c(OC)cc1Br.
What is the InChIKey of 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine?
The InChIKey is RZGWQTCXMCLDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2NO2/c1-3-7-18-8-5-4-6-9-20-15-11-12(16)14(19-2)10-13(15)17/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine?
5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine has a molecular weight of 409.16 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 79403637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).