5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine

C13H19Br2NO — CID 107320366

IUPAC5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
SMILESBrCCCCCNCCOc1ccc(Br)cc1
InChIInChI=1S/C13H19Br2NO/c14-8-2-1-3-9-16-10-11-17-13-6-4-12(15)5-7-13/h4-7,16H,1-3,8-11H2
InChIKeyYIYBWAQVTCJABP-UHFFFAOYSA-N
MW365.11 g/mol
LogP3.98
Rot. Bonds9

About 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine

5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine (PubChem CID 107320366) has the molecular formula C13H19Br2NO and a molecular weight of 365.11 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
PubChem CID107320366
Molecular FormulaC13H19Br2NO
Molecular Weight365.11 g/mol
Exact Mass362.98
IUPAC Name5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
SMILESBrCCCCCNCCOc1ccc(Br)cc1
InChIInChI=1S/C13H19Br2NO/c14-8-2-1-3-9-16-10-11-17-13-6-4-12(15)5-7-13/h4-7,16H,1-3,8-11H2
InChIKeyYIYBWAQVTCJABP-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
4-bromo-N-[2-(3-bromophenoxy)ethyl]butan-1-amine
CID 106844841
4-(6-bromohexoxy)-N-(4-bromophenyl)aniline
CID 174759190
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
N-[2-[4-(4-bromophenyl)phenoxy]ethyl]prop-2-en-1-amine
CID 63516544
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160128
2-[2-(4-bromophenoxy)ethylamino]acetic acid
CID 43466024
N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 106047006
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine?
The IUPAC name of 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine (CID 107320366) is 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine?
The canonical SMILES for 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine is BrCCCCCNCCOc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine?
The InChIKey is YIYBWAQVTCJABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO/c14-8-2-1-3-9-16-10-11-17-13-6-4-12(15)5-7-13/h4-7,16H,1-3,8-11H2.
What are the key properties of 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine?
5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine has a molecular weight of 365.11 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 107320366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).