N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H17F4NO — CID 61491191

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFc1ccccc1CCNCCCOCC(F)(F)F
InChIInChI=1S/C13H17F4NO/c14-12-5-2-1-4-11(12)6-8-18-7-3-9-19-10-13(15,16)17/h1-2,4-5,18H,3,6-10H2
InChIKeyRJMYFTAUIBEBOH-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.93
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 61491191) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID61491191
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFc1ccccc1CCNCCCOCC(F)(F)F
InChIInChI=1S/C13H17F4NO/c14-12-5-2-1-4-11(12)6-8-18-7-3-9-19-10-13(15,16)17/h1-2,4-5,18H,3,6-10H2
InChIKeyRJMYFTAUIBEBOH-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.93
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-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
1-[(2-fluorophenyl)methyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111264723
2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 60733353
3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine
CID 106306177
N-[2-(2-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28614584
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111265524
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
3-[2-(2-fluorophenyl)ethylamino]propane-1-sulfonic acid
CID 58691927
N-[2-(4-nitrophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491418
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114153943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 61491191) is N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is Fc1ccccc1CCNCCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is RJMYFTAUIBEBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c14-12-5-2-1-4-11(12)6-8-18-7-3-9-19-10-13(15,16)17/h1-2,4-5,18H,3,6-10H2.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 279.28 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 61491191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).