N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine

C16H20F3NO — CID 99823065

IUPACN-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine
SMILESFC(F)(F)c1ccc(C2(CNC3CCOCC3)CC2)cc1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)13-3-1-12(2-4-13)15(7-8-15)11-20-14-5-9-21-10-6-14/h1-4,14,20H,5-11H2
InChIKeyQKEFJSYGUPIONC-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.51
Rot. Bonds4

About N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine

N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine (PubChem CID 99823065) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine
PubChem CID99823065
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine
SMILESFC(F)(F)c1ccc(C2(CNC3CCOCC3)CC2)cc1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)13-3-1-12(2-4-13)15(7-8-15)11-20-14-5-9-21-10-6-14/h1-4,14,20H,5-11H2
InChIKeyQKEFJSYGUPIONC-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine?
The IUPAC name of N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine (CID 99823065) is N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine is FC(F)(F)c1ccc(C2(CNC3CCOCC3)CC2)cc1.
What is the InChIKey of N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine?
The InChIKey is QKEFJSYGUPIONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)13-3-1-12(2-4-13)15(7-8-15)11-20-14-5-9-21-10-6-14/h1-4,14,20H,5-11H2.
What are the key properties of N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine?
N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine has a molecular weight of 299.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxan-4-amine is sourced from PubChem (CID 99823065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).