N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine

C9H19F2NO — CID 134579816

IUPACN-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCCNCC(F)(F)COC(C)(C)C
InChIInChI=1S/C9H19F2NO/c1-5-12-6-9(10,11)7-13-8(2,3)4/h12H,5-7H2,1-4H3
InChIKeyCNABBIJVYJBVBH-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds5

About N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine

N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine (PubChem CID 134579816) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
PubChem CID134579816
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC NameN-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCCNCC(F)(F)COC(C)(C)C
InChIInChI=1S/C9H19F2NO/c1-5-12-6-9(10,11)7-13-8(2,3)4/h12H,5-7H2,1-4H3
InChIKeyCNABBIJVYJBVBH-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The IUPAC name of N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine (CID 134579816) is N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The canonical SMILES for N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine is CCNCC(F)(F)COC(C)(C)C.
What is the InChIKey of N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The InChIKey is CNABBIJVYJBVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-5-12-6-9(10,11)7-13-8(2,3)4/h12H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 134579816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).