N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine

C14H20F3NO — CID 55073008

IUPACN-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCCNCCCCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-2-18-10-4-3-5-11-19-13-8-6-12(7-9-13)14(15,16)17/h6-9,18H,2-5,10-11H2,1H3
InChIKeyALYCUFOSVCHKKB-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds8

About N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine

N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine (PubChem CID 55073008) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
PubChem CID55073008
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCCNCCCCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-2-18-10-4-3-5-11-19-13-8-6-12(7-9-13)14(15,16)17/h6-9,18H,2-5,10-11H2,1H3
InChIKeyALYCUFOSVCHKKB-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364
5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
CID 107668328
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 79621726
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
CID 148798788
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The IUPAC name of N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine (CID 55073008) is N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The canonical SMILES for N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine is CCNCCCCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The InChIKey is ALYCUFOSVCHKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-2-18-10-4-3-5-11-19-13-8-6-12(7-9-13)14(15,16)17/h6-9,18H,2-5,10-11H2,1H3.
What are the key properties of N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 55073008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).