N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine

C13H18F3NO — CID 62043196

IUPACN-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCCCC(COc1ccccc1C(F)(F)F)NC
InChIInChI=1S/C13H18F3NO/c1-3-6-10(17-2)9-18-12-8-5-4-7-11(12)13(14,15)16/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyMZNXYLZBFLIDPG-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.47
Rot. Bonds6

About N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine

N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine (PubChem CID 62043196) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
PubChem CID62043196
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCCCC(COc1ccccc1C(F)(F)F)NC
InChIInChI=1S/C13H18F3NO/c1-3-6-10(17-2)9-18-12-8-5-4-7-11(12)13(14,15)16/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyMZNXYLZBFLIDPG-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylphenoxy)pentan-2-amine
CID 62044744
1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
CID 63038671
1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
CID 62042987
N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
CID 107506501
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64803666
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
CID 11565843
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butanenitrile
CID 55143143
N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 83046654
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine (CID 62043196) is N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine is CCCC(COc1ccccc1C(F)(F)F)NC.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The InChIKey is MZNXYLZBFLIDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-6-10(17-2)9-18-12-8-5-4-7-11(12)13(14,15)16/h4-5,7-8,10,17H,3,6,9H2,1-2H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine is sourced from PubChem (CID 62043196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).