N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C21H32ClFN2O2 — CID 120914474

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Fc1ccc(C2(CNC3CCCC3C3COCCN3)CCOCC2)cc1
InChIInChI=1S/C21H31FN2O2.ClH/c22-17-6-4-16(5-7-17)21(8-11-25-12-9-21)15-24-19-3-1-2-18(19)20-14-26-13-10-23-20;/h4-7,18-20,23-24H,1-3,8-15H2;1H
InChIKeyFKOLUULOUGMNKA-UHFFFAOYSA-N
MW398.95 g/mol
LogP3.04
Rot. Bonds5

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120914474) has the molecular formula C21H32ClFN2O2 and a molecular weight of 398.95 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120914474
Molecular FormulaC21H32ClFN2O2
Molecular Weight398.95 g/mol
Exact Mass398.21
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Fc1ccc(C2(CNC3CCCC3C3COCCN3)CCOCC2)cc1
InChIInChI=1S/C21H31FN2O2.ClH/c22-17-6-4-16(5-7-17)21(8-11-25-12-9-21)15-24-19-3-1-2-18(19)20-14-26-13-10-23-20;/h4-7,18-20,23-24H,1-3,8-15H2;1H
InChIKeyFKOLUULOUGMNKA-UHFFFAOYSA-N
XLogP3.04
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.95
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120914474) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is Cl.Fc1ccc(C2(CNC3CCCC3C3COCCN3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is FKOLUULOUGMNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2.ClH/c22-17-6-4-16(5-7-17)21(8-11-25-12-9-21)15-24-19-3-1-2-18(19)20-14-26-13-10-23-20;/h4-7,18-20,23-24H,1-3,8-15H2;1H.
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 398.95 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120914474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).