2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine

C16H23Cl2NO2 — CID 116764901

IUPAC2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1(OC)CCOCC1
InChIInChI=1S/C16H23Cl2NO2/c1-3-19-15(16(20-2)7-9-21-10-8-16)11-12-13(17)5-4-6-14(12)18/h4-6,15,19H,3,7-11H2,1-2H3
InChIKeyNRDOZMQGORNUQC-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.71
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine

2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764901) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764901
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1(OC)CCOCC1
InChIInChI=1S/C16H23Cl2NO2/c1-3-19-15(16(20-2)7-9-21-10-8-16)11-12-13(17)5-4-6-14(12)18/h4-6,15,19H,3,7-11H2,1-2H3
InChIKeyNRDOZMQGORNUQC-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764982
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
2-(2,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764722
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764901) is 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine is CCNC(Cc1c(Cl)cccc1Cl)C1(OC)CCOCC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is NRDOZMQGORNUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-3-19-15(16(20-2)7-9-21-10-8-16)11-12-13(17)5-4-6-14(12)18/h4-6,15,19H,3,7-11H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 332.27 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).