2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine

C13H17ClFN — CID 112653742

IUPAC2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)C1CCC1
InChIInChI=1S/C13H17ClFN/c1-16-12(9-4-2-5-9)8-10-6-3-7-11(15)13(10)14/h3,6-7,9,12,16H,2,4-5,8H2,1H3
InChIKeyVDKNBAMQIQWMHD-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.41
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine

2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine (PubChem CID 112653742) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
PubChem CID112653742
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)C1CCC1
InChIInChI=1S/C13H17ClFN/c1-16-12(9-4-2-5-9)8-10-6-3-7-11(15)13(10)14/h3,6-7,9,12,16H,2,4-5,8H2,1H3
InChIKeyVDKNBAMQIQWMHD-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790
2-(2-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 115983806
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 112653793
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173
2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170767
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
2-(2-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 115983959
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine (CID 112653742) is 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine is CNC(Cc1cccc(F)c1Cl)C1CCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine?
The InChIKey is VDKNBAMQIQWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-16-12(9-4-2-5-9)8-10-6-3-7-11(15)13(10)14/h3,6-7,9,12,16H,2,4-5,8H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine?
2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 112653742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).