N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C21H27ClFN3O2 — CID 120915682

IUPACN-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Fc1ccc(Oc2ccnc(CNC3CCCC3C3COCCN3)c2)cc1
InChIInChI=1S/C21H26FN3O2.ClH/c22-15-4-6-17(7-5-15)27-18-8-9-23-16(12-18)13-25-20-3-1-2-19(20)21-14-26-11-10-24-21;/h4-9,12,19-21,24-25H,1-3,10-11,13-14H2;1H
InChIKeyDQHSMBFPHXMAJN-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.68
Rot. Bonds6

About N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915682) has the molecular formula C21H27ClFN3O2 and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915682
Molecular FormulaC21H27ClFN3O2
Molecular Weight407.92 g/mol
Exact Mass407.18
IUPAC NameN-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Fc1ccc(Oc2ccnc(CNC3CCCC3C3COCCN3)c2)cc1
InChIInChI=1S/C21H26FN3O2.ClH/c22-15-4-6-17(7-5-15)27-18-8-9-23-16(12-18)13-25-20-3-1-2-19(20)21-14-26-11-10-24-21;/h4-9,12,19-21,24-25H,1-3,10-11,13-14H2;1H
InChIKeyDQHSMBFPHXMAJN-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-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913977
N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915334
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915335
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
N-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915889
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914739
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914474
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-[2-(3-fluorophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914853

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915682) is N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is Cl.Fc1ccc(Oc2ccnc(CNC3CCCC3C3COCCN3)c2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is DQHSMBFPHXMAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2.ClH/c22-15-4-6-17(7-5-15)27-18-8-9-23-16(12-18)13-25-20-3-1-2-19(20)21-14-26-11-10-24-21;/h4-9,12,19-21,24-25H,1-3,10-11,13-14H2;1H.
What are the key properties of N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[4-(4-fluorophenoxy)-2-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-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).