N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine

C15H20F3NO — CID 83044258

IUPACN-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-2-3-14(10-19-12-6-7-12)20-13-8-4-11(5-9-13)15(16,17)18/h4-5,8-9,12,14,19H,2-3,6-7,10H2,1H3
InChIKeySIGBTORMAALOLL-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.00
Rot. Bonds7

About N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine

N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine (PubChem CID 83044258) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
PubChem CID83044258
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-2-3-14(10-19-12-6-7-12)20-13-8-4-11(5-9-13)15(16,17)18/h4-5,8-9,12,14,19H,2-3,6-7,10H2,1H3
InChIKeySIGBTORMAALOLL-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine (CID 83044258) is N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine is CCCC(CNC1CC1)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine?
The InChIKey is SIGBTORMAALOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-3-14(10-19-12-6-7-12)20-13-8-4-11(5-9-13)15(16,17)18/h4-5,8-9,12,14,19H,2-3,6-7,10H2,1H3.
What are the key properties of N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine?
N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine has a molecular weight of 287.32 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine is sourced from PubChem (CID 83044258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).