N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine

C9H20FNO — CID 135175069

IUPACN-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine
SMILESCCNCC(C)(F)COC(C)C
InChIInChI=1S/C9H20FNO/c1-5-11-6-9(4,10)7-12-8(2)3/h8,11H,5-7H2,1-4H3
InChIKeyQSPCGIXTJBKNNI-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.75
Rot. Bonds6

About N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine

N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine (PubChem CID 135175069) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine
PubChem CID135175069
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC NameN-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine
SMILESCCNCC(C)(F)COC(C)C
InChIInChI=1S/C9H20FNO/c1-5-11-6-9(4,10)7-12-8(2)3/h8,11H,5-7H2,1-4H3
InChIKeyQSPCGIXTJBKNNI-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine (CID 135175069) is N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine is CCNCC(C)(F)COC(C)C.
What is the InChIKey of N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine?
The InChIKey is QSPCGIXTJBKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-5-11-6-9(4,10)7-12-8(2)3/h8,11H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine?
N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 135175069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).