N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine

C14H20F3NO2 — CID 115667747

IUPACN-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine
SMILESCCC(CC)NCCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-3-11(4-2)18-9-10-19-12-5-7-13(8-6-12)20-14(15,16)17/h5-8,11,18H,3-4,9-10H2,1-2H3
InChIKeyDYSHPOXNPKSPFP-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.74
Rot. Bonds8

About N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine

N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine (PubChem CID 115667747) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine
PubChem CID115667747
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine
SMILESCCC(CC)NCCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-3-11(4-2)18-9-10-19-12-5-7-13(8-6-12)20-14(15,16)17/h5-8,11,18H,3-4,9-10H2,1-2H3
InChIKeyDYSHPOXNPKSPFP-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
4-[2-(1-methoxybutan-2-ylamino)ethoxy]benzoic acid
CID 103253450
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
3-[[4-(trifluoromethoxy)phenyl]methylamino]pentanoic acid
CID 134162198
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N'-hydroxy-4-[2-(1-hydroxybutan-2-ylamino)ethoxy]benzenecarboximidamide
CID 77028997
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine?
The IUPAC name of N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine (CID 115667747) is N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine?
The canonical SMILES for N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine is CCC(CC)NCCOc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine?
The InChIKey is DYSHPOXNPKSPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-3-11(4-2)18-9-10-19-12-5-7-13(8-6-12)20-14(15,16)17/h5-8,11,18H,3-4,9-10H2,1-2H3.
What are the key properties of N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine?
N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine has a molecular weight of 291.31 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine is sourced from PubChem (CID 115667747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).