N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine

C13H17F2NO — CID 43490214

IUPACN-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1CCCO1
InChIInChI=1S/C13H17F2NO/c1-2-16-13(12-4-3-7-17-12)10-8-9(14)5-6-11(10)15/h5-6,8,12-13,16H,2-4,7H2,1H3
InChIKeyFVRZHUNQQBXCLK-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.79
Rot. Bonds4

About N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine

N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine (PubChem CID 43490214) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
PubChem CID43490214
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1CCCO1
InChIInChI=1S/C13H17F2NO/c1-2-16-13(12-4-3-7-17-12)10-8-9(14)5-6-11(10)15/h5-6,8,12-13,16H,2-4,7H2,1H3
InChIKeyFVRZHUNQQBXCLK-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43208558
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
CID 80626288
N-[(3-bromo-2,6-difluorophenyl)-(oxan-2-yl)methyl]ethanamine
CID 106944673
N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 62867456
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine (CID 43490214) is N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)C1CCCO1.
What is the InChIKey of N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine?
The InChIKey is FVRZHUNQQBXCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-2-16-13(12-4-3-7-17-12)10-8-9(14)5-6-11(10)15/h5-6,8,12-13,16H,2-4,7H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine has a molecular weight of 241.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 43490214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).