N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C21H35ClN2O3 — CID 120915500

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC2CCCC2C2COCCN2)cc1OC.Cl
InChIInChI=1S/C21H34N2O3.ClH/c1-21(2,15-8-9-19(24-3)20(12-15)25-4)14-23-17-7-5-6-16(17)18-13-26-11-10-22-18;/h8-9,12,16-18,22-23H,5-7,10-11,13-14H2,1-4H3;1H
InChIKeyZIEDQIXATPMNJG-UHFFFAOYSA-N
MW398.98 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915500) has the molecular formula C21H35ClN2O3 and a molecular weight of 398.98 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915500
Molecular FormulaC21H35ClN2O3
Molecular Weight398.98 g/mol
Exact Mass398.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC2CCCC2C2COCCN2)cc1OC.Cl
InChIInChI=1S/C21H34N2O3.ClH/c1-21(2,15-8-9-19(24-3)20(12-15)25-4)14-23-17-7-5-6-16(17)18-13-26-11-10-22-18;/h8-9,12,16-18,22-23H,5-7,10-11,13-14H2,1-4H3;1H
InChIKeyZIEDQIXATPMNJG-UHFFFAOYSA-N
XLogP3.15
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915631
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915869
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914820
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
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428
N-[2-(2-methoxyphenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914873
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
CID 119777591
N-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915889
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914402
N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916338

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915500) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is COc1ccc(C(C)(C)CNC2CCCC2C2COCCN2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is ZIEDQIXATPMNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3.ClH/c1-21(2,15-8-9-19(24-3)20(12-15)25-4)14-23-17-7-5-6-16(17)18-13-26-11-10-22-18;/h8-9,12,16-18,22-23H,5-7,10-11,13-14H2,1-4H3;1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 398.98 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).