2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

C15H21ClFNO — CID 107892140

IUPAC2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C1COC(C)C1
InChIInChI=1S/C15H21ClFNO/c1-3-18-15(12-6-10(2)19-9-12)8-11-4-5-13(16)14(17)7-11/h4-5,7,10,12,15,18H,3,6,8-9H2,1-2H3
InChIKeyKKFWCIHVYKZZDQ-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 107892140) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID107892140
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C1COC(C)C1
InChIInChI=1S/C15H21ClFNO/c1-3-18-15(12-6-10(2)19-9-12)8-11-4-5-13(16)14(17)7-11/h4-5,7,10,12,15,18H,3,6,8-9H2,1-2H3
InChIKeyKKFWCIHVYKZZDQ-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
CID 114825892
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
N-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 107884975
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (CID 107892140) is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is CCNC(Cc1ccc(Cl)c(F)c1)C1COC(C)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is KKFWCIHVYKZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-3-18-15(12-6-10(2)19-9-12)8-11-4-5-13(16)14(17)7-11/h4-5,7,10,12,15,18H,3,6,8-9H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 285.79 g/mol, XLogP of 3.42, 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-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 107892140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).