2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine

C13H17ClFNO — CID 82806276

IUPAC2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)C1CCOC1
InChIInChI=1S/C13H17ClFNO/c1-16-12(10-5-6-17-8-10)7-9-3-2-4-11(14)13(9)15/h2-4,10,12,16H,5-8H2,1H3
InChIKeyBXMXUVPVJCXYPM-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.65
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 82806276) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID82806276
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)C1CCOC1
InChIInChI=1S/C13H17ClFNO/c1-16-12(10-5-6-17-8-10)7-9-3-2-4-11(14)13(9)15/h2-4,10,12,16H,5-8H2,1H3
InChIKeyBXMXUVPVJCXYPM-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105264342
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 112653793
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
2-(3-chloro-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 102867266
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 102868515
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine (CID 82806276) is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(Cc1cccc(Cl)c1F)C1CCOC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is BXMXUVPVJCXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-16-12(10-5-6-17-8-10)7-9-3-2-4-11(14)13(9)15/h2-4,10,12,16H,5-8H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 257.74 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 82806276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).