N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine

C17H25F2NO — CID 114535168

IUPACN-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cc(F)ccc2F)CCOC1C
InChIInChI=1S/C17H25F2NO/c1-12(2)10-20-11-17(6-7-21-13(17)3)9-14-8-15(18)4-5-16(14)19/h4-5,8,12-13,20H,6-7,9-11H2,1-3H3
InChIKeyABYLJZAFCLCRSR-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.55
Rot. Bonds6

About N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114535168) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID114535168
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cc(F)ccc2F)CCOC1C
InChIInChI=1S/C17H25F2NO/c1-12(2)10-20-11-17(6-7-21-13(17)3)9-14-8-15(18)4-5-16(14)19/h4-5,8,12-13,20H,6-7,9-11H2,1-3H3
InChIKeyABYLJZAFCLCRSR-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534580
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82719452
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114858971
N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 105375069
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535172
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535253
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
2-methyl-N-[[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535095
N-[[3-[(2,5-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534688
2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535108

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 114535168) is N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2cc(F)ccc2F)CCOC1C.
What is the InChIKey of N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ABYLJZAFCLCRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-12(2)10-20-11-17(6-7-21-13(17)3)9-14-8-15(18)4-5-16(14)19/h4-5,8,12-13,20H,6-7,9-11H2,1-3H3.
What are the key properties of N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114535168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).