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

C13H17F4NO — CID 62110751

IUPACN-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C13H17F4NO/c1-9(2)18-7-12(19-8-13(15,16)17)10-4-3-5-11(14)6-10/h3-6,9,12,18H,7-8H2,1-2H3
InChIKeyLZMKDHVMDOPTJV-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.44
Rot. Bonds6

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

N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (PubChem CID 62110751) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
PubChem CID62110751
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC NameN-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C13H17F4NO/c1-9(2)18-7-12(19-8-13(15,16)17)10-4-3-5-11(14)6-10/h3-6,9,12,18H,7-8H2,1-2H3
InChIKeyLZMKDHVMDOPTJV-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
CID 106204997
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
CID 62110255
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 55036222
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
CID 62106068
N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62106031
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 62106007

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (CID 62110751) is N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is CC(C)NCC(OCC(F)(F)F)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The InChIKey is LZMKDHVMDOPTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c1-9(2)18-7-12(19-8-13(15,16)17)10-4-3-5-11(14)6-10/h3-6,9,12,18H,7-8H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine has a molecular weight of 279.28 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62110751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).