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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43153293
N-(2,2-difluoroethyl)-2,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 58303694
2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 58303698
N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491003
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 82004246
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
CID 88936095
3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 88936096
N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
CID 89110455
3,3-Difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 89831042

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).