4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine

C11H24FNO2 — CID 103392482

IUPAC4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine
SMILESCOCCC(C)C(F)(CCCN)COC
InChIInChI=1S/C11H24FNO2/c1-10(5-8-14-2)11(12,9-15-3)6-4-7-13/h10H,4-9,13H2,1-3H3
InChIKeyOZGPEBWZVXBWSI-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.75
Rot. Bonds9

About 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine

4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine (PubChem CID 103392482) has the molecular formula C11H24FNO2 and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine.

Molecular Properties

Compound Name4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine
PubChem CID103392482
Molecular FormulaC11H24FNO2
Molecular Weight221.32 g/mol
Exact Mass221.18
IUPAC Name4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine
SMILESCOCCC(C)C(F)(CCCN)COC
InChIInChI=1S/C11H24FNO2/c1-10(5-8-14-2)11(12,9-15-3)6-4-7-13/h10H,4-9,13H2,1-3H3
InChIKeyOZGPEBWZVXBWSI-UHFFFAOYSA-N
XLogP1.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
4-Fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
CID 103392364
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386
4-Fluoro-4-(methoxymethyl)dodecan-1-amine
CID 103392406
4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
4-Fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
CID 103392424
4-Fluoro-4-(methoxymethyl)-6-methylheptan-1-amine
CID 103392443
4-Fluoro-4-(methoxymethyl)undecan-1-amine
CID 103392444
4-Fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine
CID 103392450
4-Cyclopropyl-4-fluoro-5-methoxypentan-1-amine
CID 103392479
4-Fluoro-4-(methoxymethyl)heptan-1-amine
CID 103392513
4-Fluoro-4-(methoxymethyl)octan-1-amine
CID 103392515

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine?
The IUPAC name of 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine (CID 103392482) is 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine.
What is the SMILES notation for 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine?
The canonical SMILES for 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine is COCCC(C)C(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine?
The InChIKey is OZGPEBWZVXBWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2/c1-10(5-8-14-2)11(12,9-15-3)6-4-7-13/h10H,4-9,13H2,1-3H3.
What are the key properties of 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine?
4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine is sourced from PubChem (CID 103392482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).