N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine

C12H16F3NO — CID 62456852

IUPACN-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCCC(CNC)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-3-10(8-16-2)17-11-6-4-5-9(7-11)12(13,14)15/h4-7,10,16H,3,8H2,1-2H3
InChIKeyNJBRXGGAWQZMGK-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.08
Rot. Bonds5

About N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine

N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine (PubChem CID 62456852) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
PubChem CID62456852
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCCC(CNC)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-3-10(8-16-2)17-11-6-4-5-9(7-11)12(13,14)15/h4-7,10,16H,3,8H2,1-2H3
InChIKeyNJBRXGGAWQZMGK-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
N-[(2-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 70499747
N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 62597829
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
2-[3-(trifluoromethyl)phenoxy]butanenitrile
CID 55207608
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-[2-[3-(trifluoromethyl)phenoxy]butyl]guanidine;hydroiodide
CID 109464655
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-[2-[3-(trifluoromethyl)phenoxy]butyl]guanidine
CID 109464652
1-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-[2-[3-(trifluoromethyl)phenoxy]butyl]guanidine
CID 109464634
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine (CID 62456852) is N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine is CCC(CNC)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine?
The InChIKey is NJBRXGGAWQZMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-10(8-16-2)17-11-6-4-5-9(7-11)12(13,14)15/h4-7,10,16H,3,8H2,1-2H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine?
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 62456852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).