N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C16H23F2NO — CID 65156425

IUPACN-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1C(C)OC(C)C1C
InChIInChI=1S/C16H23F2NO/c1-5-19-16(13-8-12(17)6-7-14(13)18)15-9(2)10(3)20-11(15)4/h6-11,15-16,19H,5H2,1-4H3
InChIKeyPLGDUQXDDAHKGQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.67
Rot. Bonds4

About N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 65156425) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID65156425
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1C(C)OC(C)C1C
InChIInChI=1S/C16H23F2NO/c1-5-19-16(13-8-12(17)6-7-14(13)18)15-9(2)10(3)20-11(15)4/h6-11,15-16,19H,5H2,1-4H3
InChIKeyPLGDUQXDDAHKGQ-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115852535
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154515
N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156773
N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115851998
N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 106878417
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(4-fluoro-3-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 79721558
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
CID 80626288
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156595

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 65156425) is N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is PLGDUQXDDAHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-5-19-16(13-8-12(17)6-7-14(13)18)15-9(2)10(3)20-11(15)4/h6-11,15-16,19H,5H2,1-4H3.
What are the key properties of N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 283.36 g/mol, XLogP of 3.67, 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)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65156425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).