4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine

C12H26FNO — CID 103392364

IUPAC4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
SMILESCCCC(C)CC(F)(CCCN)COC
InChIInChI=1S/C12H26FNO/c1-4-6-11(2)9-12(13,10-15-3)7-5-8-14/h11H,4-10,14H2,1-3H3
InChIKeyQSTWFOBUUIZIMT-UHFFFAOYSA-N
MW219.34 g/mol
LogP2.91
Rot. Bonds9

About 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine

4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine (PubChem CID 103392364) has the molecular formula C12H26FNO and a molecular weight of 219.34 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
PubChem CID103392364
Molecular FormulaC12H26FNO
Molecular Weight219.34 g/mol
Exact Mass219.20
IUPAC Name4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
SMILESCCCC(C)CC(F)(CCCN)COC
InChIInChI=1S/C12H26FNO/c1-4-6-11(2)9-12(13,10-15-3)7-5-8-14/h11H,4-10,14H2,1-3H3
InChIKeyQSTWFOBUUIZIMT-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
CID 155259230
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
12-Ethoxy-3-methyl-4-(3-methylbutan-2-yl)dodecan-1-amine
CID 109375
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-4-amine
CID 80435246
[3-(Difluoromethoxymethyl)cyclohexyl]methanamine
CID 84720022
2-[3-(Difluoromethoxymethyl)cyclohexyl]ethanamine
CID 84722403
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386
4-Fluoro-4-(methoxymethyl)-7-methyloctan-1-amine
CID 103392394

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine (CID 103392364) is 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine is CCCC(C)CC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine?
The InChIKey is QSTWFOBUUIZIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNO/c1-4-6-11(2)9-12(13,10-15-3)7-5-8-14/h11H,4-10,14H2,1-3H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine?
4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine has a molecular weight of 219.34 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-6-methylnonan-1-amine is sourced from PubChem (CID 103392364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).