1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine

C17H19Cl2NO — CID 63500625

IUPAC1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-20-12(2)13-7-9-14(10-8-13)21-11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyVMXCFRTUHIXFON-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.24
Rot. Bonds6

About 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine

1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine (PubChem CID 63500625) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
PubChem CID63500625
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-20-12(2)13-7-9-14(10-8-13)21-11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyVMXCFRTUHIXFON-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
CID 174342674
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505631
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine (CID 63500625) is 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine?
The InChIKey is VMXCFRTUHIXFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-20-12(2)13-7-9-14(10-8-13)21-11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine?
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine is sourced from PubChem (CID 63500625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).