N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C22H36ClN3O2 — CID 120914402

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1ccccc1C(CNC1CCCC1C1COCCN1)N1CCCC1.Cl
InChIInChI=1S/C22H35N3O2.ClH/c1-26-22-10-3-2-7-18(22)21(25-12-4-5-13-25)15-24-19-9-6-8-17(19)20-16-27-14-11-23-20;/h2-3,7,10,17,19-21,23-24H,4-6,8-9,11-16H2,1H3;1H
InChIKeyZTGBKQPRFGDUST-UHFFFAOYSA-N
MW410.00 g/mol
LogP3.00
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120914402) has the molecular formula C22H36ClN3O2 and a molecular weight of 410.00 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120914402
Molecular FormulaC22H36ClN3O2
Molecular Weight410.00 g/mol
Exact Mass409.25
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1ccccc1C(CNC1CCCC1C1COCCN1)N1CCCC1.Cl
InChIInChI=1S/C22H35N3O2.ClH/c1-26-22-10-3-2-7-18(22)21(25-12-4-5-13-25)15-24-19-9-6-8-17(19)20-16-27-14-11-23-20;/h2-3,7,10,17,19-21,23-24H,4-6,8-9,11-16H2,1H3;1H
InChIKeyZTGBKQPRFGDUST-UHFFFAOYSA-N
XLogP3.00
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.00
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120914402) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is COc1ccccc1C(CNC1CCCC1C1COCCN1)N1CCCC1.Cl.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is ZTGBKQPRFGDUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.ClH/c1-26-22-10-3-2-7-18(22)21(25-12-4-5-13-25)15-24-19-9-6-8-17(19)20-16-27-14-11-23-20;/h2-3,7,10,17,19-21,23-24H,4-6,8-9,11-16H2,1H3;1H.
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 410.00 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120914402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).