2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine

C14H19F2NO2 — CID 116764410

IUPAC2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C14H19F2NO2/c1-18-14(4-6-19-7-5-14)13(17)8-10-2-3-11(15)9-12(10)16/h2-3,9,13H,4-8,17H2,1H3
InChIKeyHGRNKPVLWXESLI-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.03
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine

2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764410) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764410
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C14H19F2NO2/c1-18-14(4-6-19-7-5-14)13(17)8-10-2-3-11(15)9-12(10)16/h2-3,9,13H,4-8,17H2,1H3
InChIKeyHGRNKPVLWXESLI-UHFFFAOYSA-N
XLogP2.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764399
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764982
[2-(2,5-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276798
(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine
CID 116764533
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764410) is 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is COC1(C(N)Cc2ccc(F)cc2F)CCOCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is HGRNKPVLWXESLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-18-14(4-6-19-7-5-14)13(17)8-10-2-3-11(15)9-12(10)16/h2-3,9,13H,4-8,17H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 271.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).