N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine

C17H22FN — CID 139764936

IUPACN-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine
SMILESFc1cccc2c1CCC(CCNC1CCCC1)=C2
InChIInChI=1S/C17H22FN/c18-17-7-3-4-14-12-13(8-9-16(14)17)10-11-19-15-5-1-2-6-15/h3-4,7,12,15,19H,1-2,5-6,8-11H2
InChIKeyHTRWEJLGSNNXMS-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.08
Rot. Bonds4

About N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine

N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine (PubChem CID 139764936) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine
PubChem CID139764936
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC NameN-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine
SMILESFc1cccc2c1CCC(CCNC1CCCC1)=C2
InChIInChI=1S/C17H22FN/c18-17-7-3-4-14-12-13(8-9-16(14)17)10-11-19-15-5-1-2-6-15/h3-4,7,12,15,19H,1-2,5-6,8-11H2
InChIKeyHTRWEJLGSNNXMS-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine (CID 139764936) is N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine is Fc1cccc2c1CCC(CCNC1CCCC1)=C2.
What is the InChIKey of N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine?
The InChIKey is HTRWEJLGSNNXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c18-17-7-3-4-14-12-13(8-9-16(14)17)10-11-19-15-5-1-2-6-15/h3-4,7,12,15,19H,1-2,5-6,8-11H2.
What are the key properties of N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine?
N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine has a molecular weight of 259.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3,4-dihydronaphthalen-2-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 139764936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).