2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine

C14H19ClFNO — CID 112653790

IUPAC2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1Cl)C1CCOCC1
InChIInChI=1S/C14H19ClFNO/c1-17-13(10-5-7-18-8-6-10)9-11-3-2-4-12(16)14(11)15/h2-4,10,13,17H,5-9H2,1H3
InChIKeyPFOKZOZCOBDUFE-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.04
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine

2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine (PubChem CID 112653790) 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-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
PubChem CID112653790
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1Cl)C1CCOCC1
InChIInChI=1S/C14H19ClFNO/c1-17-13(10-5-7-18-8-6-10)9-11-3-2-4-12(16)14(11)15/h2-4,10,13,17H,5-9H2,1H3
InChIKeyPFOKZOZCOBDUFE-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-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 112653793
2-(2-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 115983806
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105264342
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine (CID 112653790) is 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine is CNC(Cc1cccc(F)c1Cl)C1CCOCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine?
The InChIKey is PFOKZOZCOBDUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17-13(10-5-7-18-8-6-10)9-11-3-2-4-12(16)14(11)15/h2-4,10,13,17H,5-9H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine?
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-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-4-yl)ethanamine is sourced from PubChem (CID 112653790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).