4-[(2,5-difluorophenyl)methyl]oxan-4-amine

C12H15F2NO — CID 63220413

IUPAC4-[(2,5-difluorophenyl)methyl]oxan-4-amine
SMILESNC1(Cc2cc(F)ccc2F)CCOCC1
InChIInChI=1S/C12H15F2NO/c13-10-1-2-11(14)9(7-10)8-12(15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2
InChIKeyXLEUJDXWPUFXKG-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.02
Rot. Bonds2

About 4-[(2,5-difluorophenyl)methyl]oxan-4-amine

4-[(2,5-difluorophenyl)methyl]oxan-4-amine (PubChem CID 63220413) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl]oxan-4-amine
PubChem CID63220413
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-[(2,5-difluorophenyl)methyl]oxan-4-amine
SMILESNC1(Cc2cc(F)ccc2F)CCOCC1
InChIInChI=1S/C12H15F2NO/c13-10-1-2-11(14)9(7-10)8-12(15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2
InChIKeyXLEUJDXWPUFXKG-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702
4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
CID 63220505
1-(4-aminooxan-4-yl)-2-(2,5-difluorophenyl)ethanone
CID 116604564
4-[(2-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 65081829
1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]cyclopropan-1-amine
CID 117379377
3-(chloromethyl)-3-[(2,5-difluorophenyl)methyl]oxolane
CID 66034129
4-[(4-chloro-2-fluorophenyl)methyl]oxepan-4-amine
CID 114853535
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl]oxan-4-amine?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl]oxan-4-amine (CID 63220413) is 4-[(2,5-difluorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl]oxan-4-amine is NC1(Cc2cc(F)ccc2F)CCOCC1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl]oxan-4-amine?
The InChIKey is XLEUJDXWPUFXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-1-2-11(14)9(7-10)8-12(15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2.
What are the key properties of 4-[(2,5-difluorophenyl)methyl]oxan-4-amine?
4-[(2,5-difluorophenyl)methyl]oxan-4-amine has a molecular weight of 227.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 63220413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).