4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine

C11H24FNO — CID 107889807

IUPAC4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine
SMILESCCCC(C)C(F)(CCCN)COC
InChIInChI=1S/C11H24FNO/c1-4-6-10(2)11(12,9-14-3)7-5-8-13/h10H,4-9,13H2,1-3H3
InChIKeyNTJXONJELSOXCO-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.52
Rot. Bonds8

About 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine

4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine (PubChem CID 107889807) has the molecular formula C11H24FNO and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine
PubChem CID107889807
Molecular FormulaC11H24FNO
Molecular Weight205.32 g/mol
Exact Mass205.18
IUPAC Name4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine
SMILESCCCC(C)C(F)(CCCN)COC
InChIInChI=1S/C11H24FNO/c1-4-6-10(2)11(12,9-14-3)7-5-8-13/h10H,4-9,13H2,1-3H3
InChIKeyNTJXONJELSOXCO-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-4-methylheptane
CID 146477960
2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
4,8,8,8-tetrafluoro-4-(methoxymethyl)octan-1-amine
CID 103392538
3-(methoxymethyl)-4-methylheptan-3-ol
CID 107892647
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
4-cyclopropyl-4-fluoro-5-methoxypentan-1-amine
CID 103392479
heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
CID 91087406
4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine
CID 103392579
4-methylheptan-1-amine
CID 18618988
5-amino-1-methoxy-2-(propoxymethyl)pentan-2-ol
CID 103391312
2-(methoxymethyl)-2-propan-2-yldecan-1-amine
CID 139968822
[1-methoxy-2-(methoxymethyl)-3-methylhexan-2-yl]cyclopentane
CID 90169995

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine (CID 107889807) is 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine is CCCC(C)C(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine?
The InChIKey is NTJXONJELSOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO/c1-4-6-10(2)11(12,9-14-3)7-5-8-13/h10H,4-9,13H2,1-3H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine?
4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine is sourced from PubChem (CID 107889807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).