2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C16H21ClFNO — CID 107884732

IUPAC2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C1CC2CCC1O2
InChIInChI=1S/C16H21ClFNO/c1-2-19-15(12-9-11-4-6-16(12)20-11)8-10-3-5-13(17)14(18)7-10/h3,5,7,11-12,15-16,19H,2,4,6,8-9H2,1H3
InChIKeyBUUJLSLJOQSCAR-UHFFFAOYSA-N
MW297.80 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 107884732) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID107884732
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C1CC2CCC1O2
InChIInChI=1S/C16H21ClFNO/c1-2-19-15(12-9-11-4-6-16(12)20-11)8-10-3-5-13(17)14(18)7-10/h3,5,7,11-12,15-16,19H,2,4,6,8-9H2,1H3
InChIKeyBUUJLSLJOQSCAR-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine with MolForge

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Related Compounds

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
CID 103048687
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
CID 113446951
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103040435
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 107884975
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221490
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104802183
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 107884732) is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CCNC(Cc1ccc(Cl)c(F)c1)C1CC2CCC1O2.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is BUUJLSLJOQSCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-2-19-15(12-9-11-4-6-16(12)20-11)8-10-3-5-13(17)14(18)7-10/h3,5,7,11-12,15-16,19H,2,4,6,8-9H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 297.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 107884732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).