3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine

C8H18FNO — CID 130589426

IUPAC3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine
SMILESCC(C)OCC(F)C(C)(C)N
InChIInChI=1S/C8H18FNO/c1-6(2)11-5-7(9)8(3,4)10/h6-7H,5,10H2,1-4H3
InChIKeyNDKTZEFQLQFBIA-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.49
Rot. Bonds4

About 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine

3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine (PubChem CID 130589426) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine
PubChem CID130589426
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine
SMILESCC(C)OCC(F)C(C)(C)N
InChIInChI=1S/C8H18FNO/c1-6(2)11-5-7(9)8(3,4)10/h6-7H,5,10H2,1-4H3
InChIKeyNDKTZEFQLQFBIA-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine?
The IUPAC name of 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine (CID 130589426) is 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine.
What is the SMILES notation for 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine?
The canonical SMILES for 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine is CC(C)OCC(F)C(C)(C)N.
What is the InChIKey of 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine?
The InChIKey is NDKTZEFQLQFBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-6(2)11-5-7(9)8(3,4)10/h6-7H,5,10H2,1-4H3.
What are the key properties of 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine?
3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine has a molecular weight of 163.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 130589426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).