N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine

C15H22F3NO2 — CID 115495127

IUPACN-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
SMILESCCCNC(C)Cc1ccc(OCCOC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-3-8-19-12(2)11-13-4-6-14(7-5-13)20-9-10-21-15(16,17)18/h4-7,12,19H,3,8-11H2,1-2H3
InChIKeyPCHPDFHXGVQKOH-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.53
Rot. Bonds9

About N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine

N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine (PubChem CID 115495127) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound NameN-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
PubChem CID115495127
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
SMILESCCCNC(C)Cc1ccc(OCCOC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-3-8-19-12(2)11-13-4-6-14(7-5-13)20-9-10-21-15(16,17)18/h4-7,12,19H,3,8-11H2,1-2H3
InChIKeyPCHPDFHXGVQKOH-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.53
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

1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 60995873
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine?
The IUPAC name of N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine (CID 115495127) is N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine is CCCNC(C)Cc1ccc(OCCOC(F)(F)F)cc1.
What is the InChIKey of N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine?
The InChIKey is PCHPDFHXGVQKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-3-8-19-12(2)11-13-4-6-14(7-5-13)20-9-10-21-15(16,17)18/h4-7,12,19H,3,8-11H2,1-2H3.
What are the key properties of N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine?
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine has a molecular weight of 305.34 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115495127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).