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

C14H19ClFNO — CID 112653793

IUPAC2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1Cl)C1CCCOC1
InChIInChI=1S/C14H19ClFNO/c1-17-13(11-5-3-7-18-9-11)8-10-4-2-6-12(16)14(10)15/h2,4,6,11,13,17H,3,5,7-9H2,1H3
InChIKeyDIAOKWDWOSQWFX-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.04
Rot. Bonds4

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

2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine (PubChem CID 112653793) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
PubChem CID112653793
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1Cl)C1CCCOC1
InChIInChI=1S/C14H19ClFNO/c1-17-13(11-5-3-7-18-9-11)8-10-4-2-6-12(16)14(10)15/h2,4,6,11,13,17H,3,5,7-9H2,1H3
InChIKeyDIAOKWDWOSQWFX-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
2-(2-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 115983806
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine (CID 112653793) is 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine is CNC(Cc1cccc(F)c1Cl)C1CCCOC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine?
The InChIKey is DIAOKWDWOSQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17-13(11-5-3-7-18-9-11)8-10-4-2-6-12(16)14(10)15/h2,4,6,11,13,17H,3,5,7-9H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine?
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine has a molecular weight of 271.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 112653793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).