N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine

C8H14F3NO — CID 106210147

IUPACN-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOCC(C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-6(5-13-2)12-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyPXJRIOZNFDJYJT-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210147) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210147
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOCC(C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-6(5-13-2)12-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyPXJRIOZNFDJYJT-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-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

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210147) is N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine is COCC(C)NC1(C(F)(F)F)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is PXJRIOZNFDJYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(5-13-2)12-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).