N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine

C17H25FN2O2 — CID 120914249

IUPACN-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESFc1cccc(OCCNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C17H25FN2O2/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
InChIKeyDHBHOZPJNWLJIW-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120914249) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120914249
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESFc1cccc(OCCNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C17H25FN2O2/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
InChIKeyDHBHOZPJNWLJIW-UHFFFAOYSA-N
XLogP1.95
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.95
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-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914256
2-morpholin-3-yl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentan-1-amine
CID 120914273
N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916338
N-[2-(3-fluorophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914853
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915335
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915334
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
2-morpholin-3-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]cyclopentan-1-amine;hydrochloride
CID 120916282
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916118
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161
2-morpholin-3-yl-N-(2-naphthalen-2-ylethyl)cyclopentan-1-amine
CID 120914609

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120914249) is N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine is Fc1cccc(OCCNC2CCCC2C2COCCN2)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is DHBHOZPJNWLJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/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.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 308.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120914249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).