(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine

C13H18FNO — CID 70661418

IUPAC(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine
SMILESC[C@@H](N)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C13H18FNO/c1-9(15)10-6-7-12(14)13(8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m1/s1
InChIKeyFDRJNEWCHDGFCM-SECBINFHSA-N
MW223.29 g/mol
LogP3.17
Rot. Bonds3

About (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine

(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine (PubChem CID 70661418) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine
PubChem CID70661418
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine
SMILESC[C@@H](N)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C13H18FNO/c1-9(15)10-6-7-12(14)13(8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m1/s1
InChIKeyFDRJNEWCHDGFCM-SECBINFHSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine (CID 70661418) is (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine is C[C@@H](N)c1ccc(F)c(OC2CCCC2)c1.
What is the InChIKey of (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine?
The InChIKey is FDRJNEWCHDGFCM-SECBINFHSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(15)10-6-7-12(14)13(8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine?
(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine has a molecular weight of 223.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine is sourced from PubChem (CID 70661418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).