N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H28FNO — CID 115955221

IUPACN-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCC(C)COc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C17H28FNO/c1-6-8-13(2)12-20-16-14(9-7-10-15(16)18)11-19-17(3,4)5/h7,9-10,13,19H,6,8,11-12H2,1-5H3
InChIKeySKBYPHGYARGOGU-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.53
Rot. Bonds7

About N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 115955221) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID115955221
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC NameN-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCC(C)COc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C17H28FNO/c1-6-8-13(2)12-20-16-14(9-7-10-15(16)18)11-19-17(3,4)5/h7,9-10,13,19H,6,8,11-12H2,1-5H3
InChIKeySKBYPHGYARGOGU-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
1-[3-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 114058958
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891006
2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine
CID 55192326

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 115955221) is N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine is CCCC(C)COc1c(F)cccc1CNC(C)(C)C.
What is the InChIKey of N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SKBYPHGYARGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-8-13(2)12-20-16-14(9-7-10-15(16)18)11-19-17(3,4)5/h7,9-10,13,19H,6,8,11-12H2,1-5H3.
What are the key properties of N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.41 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115955221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).