N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine

C14H19F4NO — CID 102747539

IUPACN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F4NO/c1-4-9(2)19-8-10(3)20-11-5-6-13(15)12(7-11)14(16,17)18/h5-7,9-10,19H,4,8H2,1-3H3
InChIKeyWALONOIHQKCJJM-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.00
Rot. Bonds6

About N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine

N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine (PubChem CID 102747539) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
PubChem CID102747539
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC NameN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F4NO/c1-4-9(2)19-8-10(3)20-11-5-6-13(15)12(7-11)14(16,17)18/h5-7,9-10,19H,4,8H2,1-3H3
InChIKeyWALONOIHQKCJJM-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 62597829
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
CID 102747392
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoyl chloride
CID 14391759
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine
CID 102747436
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
CID 102747632
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
CID 102747245
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 102747179

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine?
The IUPAC name of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine (CID 102747539) is N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine.
What is the SMILES notation for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine?
The canonical SMILES for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine is CCC(C)NCC(C)Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine?
The InChIKey is WALONOIHQKCJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-4-9(2)19-8-10(3)20-11-5-6-13(15)12(7-11)14(16,17)18/h5-7,9-10,19H,4,8H2,1-3H3.
What are the key properties of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine?
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine has a molecular weight of 293.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine is sourced from PubChem (CID 102747539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).