3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine

C8H17F2NO — CID 134269872

IUPAC3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine
SMILESCCN(C)CC(C)COC(F)F
InChIInChI=1S/C8H17F2NO/c1-4-11(3)5-7(2)6-12-8(9)10/h7-8H,4-6H2,1-3H3
InChIKeyMRSGQSDLJFWYOV-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.81
Rot. Bonds6

About 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine

3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine (PubChem CID 134269872) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine
PubChem CID134269872
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine
SMILESCCN(C)CC(C)COC(F)F
InChIInChI=1S/C8H17F2NO/c1-4-11(3)5-7(2)6-12-8(9)10/h7-8H,4-6H2,1-3H3
InChIKeyMRSGQSDLJFWYOV-UHFFFAOYSA-N
XLogP1.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-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-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
CID 90245806
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
N-[(2R)-but-3-yn-2-yl]-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
CID 129107917
3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 129108301
N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
CID 134270019
3-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419190
N-butyl-N-(2,2,2-trifluoro-1-methoxyethyl)butan-1-amine
CID 140129720
N-propyl-N-(2,2,2-trifluoro-1-methoxyethyl)propan-1-amine
CID 140129727
N,N-diethyl-2,2,3,3-tetrafluoro-1-methoxypropan-1-amine
CID 140129729
N-[2,2-difluoro-3-(4-methylpentoxy)propyl]-N,2-dimethylpropan-1-amine
CID 141688313
N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine
CID 142616017

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine (CID 134269872) is 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine is CCN(C)CC(C)COC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine?
The InChIKey is MRSGQSDLJFWYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-4-11(3)5-7(2)6-12-8(9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine?
3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 134269872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).