5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine

C15H20F3NO — CID 115491359

IUPAC5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
SMILESC=CCOc1ccccc1CNCCCCC(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-2-11-20-14-8-4-3-7-13(14)12-19-10-6-5-9-15(16,17)18/h2-4,7-8,19H,1,5-6,9-12H2
InChIKeyRRQQVIDCWFOXHP-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.07
Rot. Bonds9

About 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine

5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine (PubChem CID 115491359) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
PubChem CID115491359
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
SMILESC=CCOc1ccccc1CNCCCCC(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-2-11-20-14-8-4-3-7-13(14)12-19-10-6-5-9-15(16,17)18/h2-4,7-8,19H,1,5-6,9-12H2
InChIKeyRRQQVIDCWFOXHP-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoro-N-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 115491458
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
CID 103701789
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
2-[(5,5,5-trifluoropentylamino)methyl]phenol
CID 115491381
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327123
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine (CID 115491359) is 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine is C=CCOc1ccccc1CNCCCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine?
The InChIKey is RRQQVIDCWFOXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-11-20-14-8-4-3-7-13(14)12-19-10-6-5-9-15(16,17)18/h2-4,7-8,19H,1,5-6,9-12H2.
What are the key properties of 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine?
5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine has a molecular weight of 287.33 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 115491359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).