N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

C23H31N3O3 — CID 120913977

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCCOc1ccc(Oc2cc(CNC3CCCC3C3COCCN3)ccn2)cc1
InChIInChI=1S/C23H31N3O3/c1-2-28-18-6-8-19(9-7-18)29-23-14-17(10-11-25-23)15-26-21-5-3-4-20(21)22-16-27-13-12-24-22/h6-11,14,20-22,24,26H,2-5,12-13,15-16H2,1H3
InChIKeyMRVRHYDVARGHPN-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.52
Rot. Bonds8

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

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120913977) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120913977
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCCOc1ccc(Oc2cc(CNC3CCCC3C3COCCN3)ccn2)cc1
InChIInChI=1S/C23H31N3O3/c1-2-28-18-6-8-19(9-7-18)29-23-14-17(10-11-25-23)15-26-21-5-3-4-20(21)22-16-27-13-12-24-22/h6-11,14,20-22,24,26H,2-5,12-13,15-16H2,1H3
InChIKeyMRVRHYDVARGHPN-UHFFFAOYSA-N
XLogP3.52
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120913977) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is CCOc1ccc(Oc2cc(CNC3CCCC3C3COCCN3)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is MRVRHYDVARGHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-2-28-18-6-8-19(9-7-18)29-23-14-17(10-11-25-23)15-26-21-5-3-4-20(21)22-16-27-13-12-24-22/h6-11,14,20-22,24,26H,2-5,12-13,15-16H2,1H3.
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 397.52 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120913977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).