4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine

C10H22FNO2 — CID 103392424

IUPAC4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
SMILESCOCC(C)C(F)(CCCN)COC
InChIInChI=1S/C10H22FNO2/c1-9(7-13-2)10(11,8-14-3)5-4-6-12/h9H,4-8,12H2,1-3H3
InChIKeyLYGXOROJKWMCMG-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.36
Rot. Bonds8

About 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine

4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine (PubChem CID 103392424) has the molecular formula C10H22FNO2 and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
PubChem CID103392424
Molecular FormulaC10H22FNO2
Molecular Weight207.29 g/mol
Exact Mass207.16
IUPAC Name4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
SMILESCOCC(C)C(F)(CCCN)COC
InChIInChI=1S/C10H22FNO2/c1-9(7-13-2)10(11,8-14-3)5-4-6-12/h9H,4-8,12H2,1-3H3
InChIKeyLYGXOROJKWMCMG-UHFFFAOYSA-N
XLogP1.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
2,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81010438
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81013544
4-Fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
CID 103392364
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386
4-Fluoro-4-(methoxymethyl)-7-methyloctan-1-amine
CID 103392394
4-Fluoro-4-(methoxymethyl)hexan-1-amine
CID 103392395
4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
4-Fluoro-4-(methoxymethyl)-6-methylheptan-1-amine
CID 103392443
4-Cyclopropyl-4-fluoro-5-methoxypentan-1-amine
CID 103392479
4-Fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine
CID 103392482

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine?
The IUPAC name of 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine (CID 103392424) is 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine.
What is the SMILES notation for 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine?
The canonical SMILES for 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine is COCC(C)C(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine?
The InChIKey is LYGXOROJKWMCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2/c1-9(7-13-2)10(11,8-14-3)5-4-6-12/h9H,4-8,12H2,1-3H3.
What are the key properties of 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine?
4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine is sourced from PubChem (CID 103392424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).