N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C21H27ClFN3O2 — CID 120915334

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Fc1cccc(Oc2ccc(CNC3CCCC3C3COCCN3)cn2)c1
InChIInChI=1S/C21H26FN3O2.ClH/c22-16-3-1-4-17(11-16)27-21-8-7-15(13-25-21)12-24-19-6-2-5-18(19)20-14-26-10-9-23-20;/h1,3-4,7-8,11,13,18-20,23-24H,2,5-6,9-10,12,14H2;1H
InChIKeyQGYWWZABEVSMTQ-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.68
Rot. Bonds6

About N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915334) has the molecular formula C21H27ClFN3O2 and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915334
Molecular FormulaC21H27ClFN3O2
Molecular Weight407.92 g/mol
Exact Mass407.18
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Fc1cccc(Oc2ccc(CNC3CCCC3C3COCCN3)cn2)c1
InChIInChI=1S/C21H26FN3O2.ClH/c22-16-3-1-4-17(11-16)27-21-8-7-15(13-25-21)12-24-19-6-2-5-18(19)20-14-26-10-9-23-20;/h1,3-4,7-8,11,13,18-20,23-24H,2,5-6,9-10,12,14H2;1H
InChIKeyQGYWWZABEVSMTQ-UHFFFAOYSA-N
XLogP3.68
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915335
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
2-morpholin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 120915183
N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915682
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161
N-[2-(3-fluorophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914853
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913977
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914739
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915334) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is Cl.Fc1cccc(Oc2ccc(CNC3CCCC3C3COCCN3)cn2)c1.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is QGYWWZABEVSMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2.ClH/c22-16-3-1-4-17(11-16)27-21-8-7-15(13-25-21)12-24-19-6-2-5-18(19)20-14-26-10-9-23-20;/h1,3-4,7-8,11,13,18-20,23-24H,2,5-6,9-10,12,14H2;1H.
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).