2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine

C15H17Cl2NO2 — CID 130373179

IUPAC2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine
SMILESNCCOC1=CC(OCc2c(Cl)cccc2Cl)=CCC1
InChIInChI=1S/C15H17Cl2NO2/c16-14-5-2-6-15(17)13(14)10-20-12-4-1-3-11(9-12)19-8-7-18/h2,4-6,9H,1,3,7-8,10,18H2
InChIKeyDOKFCFUZIQMEFM-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.05
Rot. Bonds6

About 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine

2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine (PubChem CID 130373179) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine.

Molecular Properties

Compound Name2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine
PubChem CID130373179
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine
SMILESNCCOC1=CC(OCc2c(Cl)cccc2Cl)=CCC1
InChIInChI=1S/C15H17Cl2NO2/c16-14-5-2-6-15(17)13(14)10-20-12-4-1-3-11(9-12)19-8-7-18/h2,4-6,9H,1,3,7-8,10,18H2
InChIKeyDOKFCFUZIQMEFM-UHFFFAOYSA-N
XLogP4.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol
CID 130373361
2-(2-aminoethoxy)-3-chloroaniline
CID 122439573
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
2-[(6-chloro-2-pyridinyl)oxy]ethanamine
CID 89179047
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
CID 78879031
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine?
The IUPAC name of 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine (CID 130373179) is 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine.
What is the SMILES notation for 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine?
The canonical SMILES for 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine is NCCOC1=CC(OCc2c(Cl)cccc2Cl)=CCC1.
What is the InChIKey of 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine?
The InChIKey is DOKFCFUZIQMEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-14-5-2-6-15(17)13(14)10-20-12-4-1-3-11(9-12)19-8-7-18/h2,4-6,9H,1,3,7-8,10,18H2.
What are the key properties of 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine?
2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine has a molecular weight of 314.21 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine is sourced from PubChem (CID 130373179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).