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

C17H26Cl2N2O2 — CID 120914256

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Clc1cccc(OCCNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C17H25ClN2O2.ClH/c18-13-3-1-4-14(11-13)22-10-8-19-16-6-2-5-15(16)17-12-21-9-7-20-17;/h1,3-4,11,15-17,19-20H,2,5-10,12H2;1H
InChIKeyTXDVWHUJIBOUFY-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.89
Rot. Bonds6

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

N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120914256) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120914256
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Clc1cccc(OCCNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C17H25ClN2O2.ClH/c18-13-3-1-4-14(11-13)22-10-8-19-16-6-2-5-15(16)17-12-21-9-7-20-17;/h1,3-4,11,15-17,19-20H,2,5-10,12H2;1H
InChIKeyTXDVWHUJIBOUFY-UHFFFAOYSA-N
XLogP2.89
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.89
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

N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916338
2-morpholin-3-yl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentan-1-amine
CID 120914273
N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916118
2-morpholin-3-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]cyclopentan-1-amine;hydrochloride
CID 120916282
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916147
2-morpholin-3-yl-N-(2-naphthalen-2-ylethyl)cyclopentan-1-amine
CID 120914609
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914266
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161
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-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120914256) is N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is Cl.Clc1cccc(OCCNC2CCCC2C2COCCN2)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is TXDVWHUJIBOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2.ClH/c18-13-3-1-4-14(11-13)22-10-8-19-16-6-2-5-15(16)17-12-21-9-7-20-17;/h1,3-4,11,15-17,19-20H,2,5-10,12H2;1H.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 361.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120914256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).