3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H16F3NO — CID 88936096

IUPAC3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCC(C)(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,6-13-3)4-12-5-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyPYYWAWWKYBGUJF-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.81
Rot. Bonds5

About 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine

3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 88936096) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID88936096
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCC(C)(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,6-13-3)4-12-5-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyPYYWAWWKYBGUJF-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)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-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
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-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 89840445
3-(difluoromethoxy)-N-ethylpropan-1-amine
CID 122696157
3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129140799
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334
[3-(Tert-butoxy)-2,2-difluoropropyl](ethyl)amine
CID 134579816
(2,2-Difluoro-3-methoxypropyl)(ethyl)amine
CID 135175198

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 88936096) is 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine is COCC(C)(C)CNCC(F)(F)F.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is PYYWAWWKYBGUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,6-13-3)4-12-5-8(9,10)11/h12H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 88936096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).