N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

C15H20F3NO — CID 103802421

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCC1(CNCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c1-20-9-8-14(6-7-14)11-19-10-12-4-2-3-5-13(12)15(16,17)18/h2-5,19H,6-11H2,1H3
InChIKeyKSZDLXLPHJWOFE-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.61
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 103802421) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID103802421
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOCCC1(CNCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c1-20-9-8-14(6-7-14)11-19-10-12-4-2-3-5-13(12)15(16,17)18/h2-5,19H,6-11H2,1H3
InChIKeyKSZDLXLPHJWOFE-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 103802421) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is COCCC1(CNCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KSZDLXLPHJWOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-20-9-8-14(6-7-14)11-19-10-12-4-2-3-5-13(12)15(16,17)18/h2-5,19H,6-11H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103802421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).