5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine

C16H26BrNO2 — CID 104663012

IUPAC5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine
SMILESCCNCCCCCc1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C16H26BrNO2/c1-3-18-10-6-4-5-7-14-8-9-16(15(17)13-14)20-12-11-19-2/h8-9,13,18H,3-7,10-12H2,1-2H3
InChIKeyASWFUZYERCEZRK-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.80
Rot. Bonds11

About 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine

5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine (PubChem CID 104663012) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine
PubChem CID104663012
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine
SMILESCCNCCCCCc1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C16H26BrNO2/c1-3-18-10-6-4-5-7-14-8-9-16(15(17)13-14)20-12-11-19-2/h8-9,13,18H,3-7,10-12H2,1-2H3
InChIKeyASWFUZYERCEZRK-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.80
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

5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566
4-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-propan-2-ylbutan-1-amine
CID 104662999
5-(3-bromo-4-propoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662947
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062511
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
N-[(3-bromo-4-hexoxyphenyl)methyl]-2-methoxyethanamine
CID 63501576
N-[[3-bromo-4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 103177715
N'-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 113410172
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
4-(2-bromo-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2296576

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine?
The IUPAC name of 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine (CID 104663012) is 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine.
What is the SMILES notation for 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine?
The canonical SMILES for 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine is CCNCCCCCc1ccc(OCCOC)c(Br)c1.
What is the InChIKey of 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine?
The InChIKey is ASWFUZYERCEZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-3-18-10-6-4-5-7-14-8-9-16(15(17)13-14)20-12-11-19-2/h8-9,13,18H,3-7,10-12H2,1-2H3.
What are the key properties of 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine?
5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine is sourced from PubChem (CID 104663012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).