N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine

C15H19FN2O — CID 63852335

IUPACN-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine
SMILESFc1ccc2c(ccn2CCNC2CCOCC2)c1
InChIInChI=1S/C15H19FN2O/c16-13-1-2-15-12(11-13)3-7-18(15)8-6-17-14-4-9-19-10-5-14/h1-3,7,11,14,17H,4-6,8-10H2
InChIKeyPAOPLVJDWGLNSB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine

N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine (PubChem CID 63852335) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine
PubChem CID63852335
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine
SMILESFc1ccc2c(ccn2CCNC2CCOCC2)c1
InChIInChI=1S/C15H19FN2O/c16-13-1-2-15-12(11-13)3-7-18(15)8-6-17-14-4-9-19-10-5-14/h1-3,7,11,14,17H,4-6,8-10H2
InChIKeyPAOPLVJDWGLNSB-UHFFFAOYSA-N
XLogP2.55
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine (CID 63852335) is N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine is Fc1ccc2c(ccn2CCNC2CCOCC2)c1.
What is the InChIKey of N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine?
The InChIKey is PAOPLVJDWGLNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-1-2-15-12(11-13)3-7-18(15)8-6-17-14-4-9-19-10-5-14/h1-3,7,11,14,17H,4-6,8-10H2.
What are the key properties of N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine?
N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine has a molecular weight of 262.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 63852335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).