N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine

C17H25FN2O2 — CID 120913887

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESFc1ccc(OCCNC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C17H25FN2O2/c18-13-4-6-14(7-5-13)22-11-9-19-16-3-1-2-15(16)17-12-21-10-8-20-17/h4-7,15-17,19-20H,1-3,8-12H2
InChIKeyMGNVQNQDYACGIR-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120913887) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120913887
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESFc1ccc(OCCNC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C17H25FN2O2/c18-13-4-6-14(7-5-13)22-11-9-19-16-3-1-2-15(16)17-12-21-10-8-20-17/h4-7,15-17,19-20H,1-3,8-12H2
InChIKeyMGNVQNQDYACGIR-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120913887) is N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine is Fc1ccc(OCCNC2CCCC2C2COCCN2)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is MGNVQNQDYACGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-13-4-6-14(7-5-13)22-11-9-19-16-3-1-2-15(16)17-12-21-10-8-20-17/h4-7,15-17,19-20H,1-3,8-12H2.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[2-(4-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-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120913887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).