[3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine

C14H14F3NO — CID 70968873

IUPAC[3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=CC(Oc2cccc(C(F)(F)F)c2)=CCC1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h2,4-8H,1,3,9,18H2
InChIKeyAZONFLJHZZMKBX-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.65
Rot. Bonds3

About [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine

[3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 70968873) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID70968873
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name[3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=CC(Oc2cccc(C(F)(F)F)c2)=CCC1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h2,4-8H,1,3,9,18H2
InChIKeyAZONFLJHZZMKBX-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine (CID 70968873) is [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine is NCC1=CC(Oc2cccc(C(F)(F)F)c2)=CCC1.
What is the InChIKey of [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is AZONFLJHZZMKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h2,4-8H,1,3,9,18H2.
What are the key properties of [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine?
[3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 70968873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).