2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine

C18H22ClNO2 — CID 21318117

IUPAC2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO2/c1-3-20(4-2)13-14-21-16-9-11-18(12-10-16)22-17-7-5-15(19)6-8-17/h5-12H,3-4,13-14H2,1-2H3
InChIKeyXZIPTIQEKZLXGH-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.85
Rot. Bonds8

About 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine

2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine (PubChem CID 21318117) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
PubChem CID21318117
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO2/c1-3-20(4-2)13-14-21-16-9-11-18(12-10-16)22-17-7-5-15(19)6-8-17/h5-12H,3-4,13-14H2,1-2H3
InChIKeyXZIPTIQEKZLXGH-UHFFFAOYSA-N
XLogP4.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
CID 160547333
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667626
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
2-[4-(4-chlorophenoxy)anilino]-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 66977684
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
4-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenoxy]but-3-en-2-one
CID 54410104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine (CID 21318117) is 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine?
The InChIKey is XZIPTIQEKZLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-3-20(4-2)13-14-21-16-9-11-18(12-10-16)22-17-7-5-15(19)6-8-17/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine?
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine has a molecular weight of 319.83 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 21318117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).