2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine

C20H24F3NO — CID 67413307

IUPAC2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C20H24F3NO/c1-19(2,24)16-5-3-14-12-18(8-4-13(14)11-16)25-17-9-6-15(7-10-17)20(21,22)23/h3-5,8,11-12,15,17H,6-7,9-10,24H2,1-2H3
InChIKeyIWRJJQPOKKYUDB-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.53
Rot. Bonds3

About 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine

2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine (PubChem CID 67413307) has the molecular formula C20H24F3NO and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine
PubChem CID67413307
Molecular FormulaC20H24F3NO
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C20H24F3NO/c1-19(2,24)16-5-3-14-12-18(8-4-13(14)11-16)25-17-9-6-15(7-10-17)20(21,22)23/h3-5,8,11-12,15,17H,6-7,9-10,24H2,1-2H3
InChIKeyIWRJJQPOKKYUDB-UHFFFAOYSA-N
XLogP5.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine?
The IUPAC name of 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine (CID 67413307) is 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine.
What is the SMILES notation for 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine?
The canonical SMILES for 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine is CC(C)(N)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1.
What is the InChIKey of 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine?
The InChIKey is IWRJJQPOKKYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO/c1-19(2,24)16-5-3-14-12-18(8-4-13(14)11-16)25-17-9-6-15(7-10-17)20(21,22)23/h3-5,8,11-12,15,17H,6-7,9-10,24H2,1-2H3.
What are the key properties of 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine?
2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine has a molecular weight of 351.41 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine is sourced from PubChem (CID 67413307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).