N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C21H35ClN2O2 — CID 120916338

IUPACN-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC(C)(C)c1cccc(OCCNC2CCCC2C2COCCN2)c1.Cl
InChIInChI=1S/C21H34N2O2.ClH/c1-21(2,3)16-6-4-7-17(14-16)25-13-11-22-19-9-5-8-18(19)20-15-24-12-10-23-20;/h4,6-7,14,18-20,22-23H,5,8-13,15H2,1-3H3;1H
InChIKeyJAFMKCOSFXLNMS-UHFFFAOYSA-N
MW382.98 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120916338) has the molecular formula C21H35ClN2O2 and a molecular weight of 382.98 g/mol. Its IUPAC name is N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120916338
Molecular FormulaC21H35ClN2O2
Molecular Weight382.98 g/mol
Exact Mass382.24
IUPAC NameN-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC(C)(C)c1cccc(OCCNC2CCCC2C2COCCN2)c1.Cl
InChIInChI=1S/C21H34N2O2.ClH/c1-21(2,3)16-6-4-7-17(14-16)25-13-11-22-19-9-5-8-18(19)20-15-24-12-10-23-20;/h4,6-7,14,18-20,22-23H,5,8-13,15H2,1-3H3;1H
InChIKeyJAFMKCOSFXLNMS-UHFFFAOYSA-N
XLogP3.53
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.98
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-3-yl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentan-1-amine
CID 120914273
N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914256
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
2-morpholin-3-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]cyclopentan-1-amine;hydrochloride
CID 120916282
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915869
N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915631
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916118
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride
CID 120915684
2-morpholin-3-yl-N-(2-naphthalen-2-ylethyl)cyclopentan-1-amine
CID 120914609
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120916338) is N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is CC(C)(C)c1cccc(OCCNC2CCCC2C2COCCN2)c1.Cl.
What is the InChIKey of N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is JAFMKCOSFXLNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2.ClH/c1-21(2,3)16-6-4-7-17(14-16)25-13-11-22-19-9-5-8-18(19)20-15-24-12-10-23-20;/h4,6-7,14,18-20,22-23H,5,8-13,15H2,1-3H3;1H.
What are the key properties of N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 382.98 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120916338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).