2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine

C15H21F4NO — CID 102747436

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine
SMILESCCCNCC(CCC)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F4NO/c1-3-5-12(10-20-8-4-2)21-11-6-7-14(16)13(9-11)15(17,18)19/h6-7,9,12,20H,3-5,8,10H2,1-2H3
InChIKeyAQJUYGLDSDULRG-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.39
Rot. Bonds8

About 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine

2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine (PubChem CID 102747436) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine
PubChem CID102747436
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine
SMILESCCCNCC(CCC)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F4NO/c1-3-5-12(10-20-8-4-2)21-11-6-7-14(16)13(9-11)15(17,18)19/h6-7,9,12,20H,3-5,8,10H2,1-2H3
InChIKeyAQJUYGLDSDULRG-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-fluorophenoxy)-N-propylpentan-1-amine
CID 83234665
2-(4-fluorophenoxy)-N-propylpentan-1-amine
CID 83045947
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 102747539
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
CID 102747632
methyl 2-[4-fluoro-3-(trifluoromethyl)phenoxy]hexanoate
CID 102746818
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoyl chloride
CID 14391759
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
N-ethyl-2-(4-fluorophenoxy)pentan-1-amine
CID 83046488
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine (CID 102747436) is 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine is CCCNCC(CCC)Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine?
The InChIKey is AQJUYGLDSDULRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-3-5-12(10-20-8-4-2)21-11-6-7-14(16)13(9-11)15(17,18)19/h6-7,9,12,20H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine?
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine has a molecular weight of 307.33 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine is sourced from PubChem (CID 102747436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).