1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride

C14H21ClFNO2 — CID 2969902

IUPAC1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCC1)COc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2.ClH/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12;/h5-8,12-13,16-17H,1-4,9-10H2;1H
InChIKeyMOPVDUQZFMCYFC-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.52
Rot. Bonds6

About 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride

1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride (PubChem CID 2969902) has the molecular formula C14H21ClFNO2 and a molecular weight of 289.78 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
PubChem CID2969902
Molecular FormulaC14H21ClFNO2
Molecular Weight289.78 g/mol
Exact Mass289.12
IUPAC Name1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCC1)COc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2.ClH/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12;/h5-8,12-13,16-17H,1-4,9-10H2;1H
InChIKeyMOPVDUQZFMCYFC-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride (CID 2969902) is 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride is Cl.OC(CNC1CCCC1)COc1ccc(F)cc1.
What is the InChIKey of 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride?
The InChIKey is MOPVDUQZFMCYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2.ClH/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12;/h5-8,12-13,16-17H,1-4,9-10H2;1H.
What are the key properties of 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride?
1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride has a molecular weight of 289.78 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2969902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).