2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine

C14H22BrNO2 — CID 2246319

IUPAC2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO2/c1-3-16(4-2)9-10-17-11-12-18-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyYLKDKKJGOKNUEE-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.19
Rot. Bonds9

About 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine

2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine (PubChem CID 2246319) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
PubChem CID2246319
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO2/c1-3-16(4-2)9-10-17-11-12-18-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyYLKDKKJGOKNUEE-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.19
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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Related Compounds

1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene
CID 172635256
1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 146502116
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-[2-(4-bromophenoxy)ethoxy]-2-methylpropan-2-amine
CID 64537776
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
CID 31196232
3-[2-(4-bromophenoxy)ethyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910381
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine (CID 2246319) is 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine is CCN(CC)CCOCCOc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine?
The InChIKey is YLKDKKJGOKNUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-3-16(4-2)9-10-17-11-12-18-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine?
2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine has a molecular weight of 316.24 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine is sourced from PubChem (CID 2246319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).