2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine

C9H20FNO — CID 89230242

IUPAC2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine
SMILESCC(C)(F)CCOC(C)(C)CN
InChIInChI=1S/C9H20FNO/c1-8(2,10)5-6-12-9(3,4)7-11/h5-7,11H2,1-4H3
InChIKeyNHOUQZPNKRIQSZ-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.88
Rot. Bonds5

About 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine

2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine (PubChem CID 89230242) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine
PubChem CID89230242
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine
SMILESCC(C)(F)CCOC(C)(C)CN
InChIInChI=1S/C9H20FNO/c1-8(2,10)5-6-12-9(3,4)7-11/h5-7,11H2,1-4H3
InChIKeyNHOUQZPNKRIQSZ-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-Difluoropentoxy)-2-methylpropan-1-amine
CID 91414179
[4-(1-Amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl] thiohypofluorite
CID 126590622
3-(3-Fluorobutoxy)-3-methylbutan-1-amine
CID 138717479
2-[1-(4-Fluoro-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxyethanamine
CID 142483299
2-(4,4-Difluoropentoxy)-2-methylpropan-1-amine;ethane;molecular hydrogen
CID 144089184
2-(4,4-Difluoropentoxy)-2-methylpropan-1-amine;ethane
CID 144089213
2-Fluoro-2-(2,2,3,3-tetramethylbutoxy)propan-1-amine
CID 159941636
3,3-Difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 170585004
3,3,3-Trifluoro-2-(3-methylbutoxy)propan-1-amine
CID 43752917
3,3,3-Trifluoro-2-(2-methylbutan-2-yloxy)propan-1-amine
CID 43752961
2-Ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 65050530
2-Ethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65050583

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine (CID 89230242) is 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine is CC(C)(F)CCOC(C)(C)CN.
What is the InChIKey of 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine?
The InChIKey is NHOUQZPNKRIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-8(2,10)5-6-12-9(3,4)7-11/h5-7,11H2,1-4H3.
What are the key properties of 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine?
2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylbutoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 89230242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).