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

C13H17ClFNO — CID 115840656

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
SMILESCC1OCCC1C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO/c1-8-11(4-5-17-8)13(16)6-9-2-3-10(15)7-12(9)14/h2-3,7-8,11,13H,4-6,16H2,1H3
InChIKeyHDCDCNCAXWOCMD-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.77
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine (PubChem CID 115840656) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
PubChem CID115840656
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
SMILESCC1OCCC1C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO/c1-8-11(4-5-17-8)13(16)6-9-2-3-10(15)7-12(9)14/h2-3,7-8,11,13H,4-6,16H2,1H3
InChIKeyHDCDCNCAXWOCMD-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105050938
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104181
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
2-(2-chloro-4-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanamine
CID 103345372
(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020242

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine (CID 115840656) is 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine is CC1OCCC1C(N)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine?
The InChIKey is HDCDCNCAXWOCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-8-11(4-5-17-8)13(16)6-9-2-3-10(15)7-12(9)14/h2-3,7-8,11,13H,4-6,16H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine has a molecular weight of 257.74 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 115840656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).