1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride

C13H19ClFNO — CID 155346993

IUPAC1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(F)c(OC2CCCC2)c1.Cl
InChIInChI=1S/C13H18FNO.ClH/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;1H
InChIKeyCTPGTBQFQCMDAK-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride

1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride (PubChem CID 155346993) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
PubChem CID155346993
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(F)c(OC2CCCC2)c1.Cl
InChIInChI=1S/C13H18FNO.ClH/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;1H
InChIKeyCTPGTBQFQCMDAK-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)-N-methylethanamine
CID 142399949
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
4-[1-(3-chloropropylsulfanyl)ethyl]-2-cyclopentyloxy-1-fluorobenzene
CID 142360547
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
4-bromo-2-cyclohexyloxy-1-fluorobenzene
CID 114672606
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride (CID 155346993) is 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride is CC(N)c1ccc(F)c(OC2CCCC2)c1.Cl.
What is the InChIKey of 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is CTPGTBQFQCMDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/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;1H.
What are the key properties of 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride?
1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 155346993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).