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

C14H19ClFNO2 — CID 116764439

IUPAC2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2cccc(F)c2Cl)CCOCC1
InChIInChI=1S/C14H19ClFNO2/c1-18-14(5-7-19-8-6-14)12(17)9-10-3-2-4-11(16)13(10)15/h2-4,12H,5-9,17H2,1H3
InChIKeyYEGWCQHDVUZFRL-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.54
Rot. Bonds4

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

2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764439) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764439
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2cccc(F)c2Cl)CCOCC1
InChIInChI=1S/C14H19ClFNO2/c1-18-14(5-7-19-8-6-14)12(17)9-10-3-2-4-11(16)13(10)15/h2-4,12H,5-9,17H2,1H3
InChIKeyYEGWCQHDVUZFRL-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 105270220
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764399
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 115983760
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277013

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764439) is 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is COC1(C(N)Cc2cccc(F)c2Cl)CCOCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is YEGWCQHDVUZFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-18-14(5-7-19-8-6-14)12(17)9-10-3-2-4-11(16)13(10)15/h2-4,12H,5-9,17H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 287.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).