1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride

C20H30ClF2N3O2 — CID 120914520

IUPAC1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.FC(F)Oc1ccccc1N1CCC(NC2CCCC2C2COCCN2)C1
InChIInChI=1S/C20H29F2N3O2.ClH/c21-20(22)27-19-7-2-1-6-18(19)25-10-8-14(12-25)24-16-5-3-4-15(16)17-13-26-11-9-23-17;/h1-2,6-7,14-17,20,23-24H,3-5,8-13H2;1H
InChIKeyYFKIYXXOBPCMKU-UHFFFAOYSA-N
MW417.93 g/mol
LogP3.04
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride

1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 120914520) has the molecular formula C20H30ClF2N3O2 and a molecular weight of 417.93 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride
PubChem CID120914520
Molecular FormulaC20H30ClF2N3O2
Molecular Weight417.93 g/mol
Exact Mass417.20
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.FC(F)Oc1ccccc1N1CCC(NC2CCCC2C2COCCN2)C1
InChIInChI=1S/C20H29F2N3O2.ClH/c21-20(22)27-19-7-2-1-6-18(19)25-10-8-14(12-25)24-16-5-3-4-15(16)17-13-26-11-9-23-17;/h1-2,6-7,14-17,20,23-24H,3-5,8-13H2;1H
InChIKeyYFKIYXXOBPCMKU-UHFFFAOYSA-N
XLogP3.04
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.93
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholin-3-ylcyclopentyl)-1-pyridin-2-ylpiperidin-4-amine;hydrochloride
CID 120915468
1-(4-tert-butylphenyl)-N-(2-morpholin-3-ylcyclopentyl)piperidin-4-amine
CID 120914461
1-methyl-N-(2-morpholin-3-ylcyclopentyl)piperidin-4-amine;hydrochloride
CID 120914710
1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride
CID 120915896
N-(2-morpholin-3-ylcyclopentyl)oxan-4-amine
CID 120913967
1-(2-methoxyphenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
CID 120914206
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915043
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914402
N-[2-(2-methoxyphenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914873
N-(2-morpholin-3-ylcyclopentyl)-1-propylpiperidin-4-amine
CID 120914713
N-(2-morpholin-3-ylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine
CID 120915717

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride (CID 120914520) is 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride is Cl.FC(F)Oc1ccccc1N1CCC(NC2CCCC2C2COCCN2)C1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is YFKIYXXOBPCMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O2.ClH/c21-20(22)27-19-7-2-1-6-18(19)25-10-8-14(12-25)24-16-5-3-4-15(16)17-13-26-11-9-23-17;/h1-2,6-7,14-17,20,23-24H,3-5,8-13H2;1H.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride?
1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 417.93 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120914520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).