2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine

C14H22BrNO2 — CID 3066021

IUPAC2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCc1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO2/c1-4-16(5-2)8-9-18-11-12-10-13(15)6-7-14(12)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyNHFHSXGYQFGVOF-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.32
Rot. Bonds8

About 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine

2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine (PubChem CID 3066021) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine
PubChem CID3066021
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCc1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO2/c1-4-16(5-2)8-9-18-11-12-10-13(15)6-7-14(12)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyNHFHSXGYQFGVOF-UHFFFAOYSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine (CID 3066021) is 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine is CCN(CC)CCOCc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine?
The InChIKey is NHFHSXGYQFGVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-4-16(5-2)8-9-18-11-12-10-13(15)6-7-14(12)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine?
2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine has a molecular weight of 316.24 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 3066021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).