N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine

C13H19FN2O — CID 3152376

IUPACN-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESFc1ccc(CNCCN2CCOCC2)cc1
InChIInChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-15-5-6-16-7-9-17-10-8-16/h1-4,15H,5-11H2
InChIKeyRBDOLGPRWKKECN-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.25
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine

N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 3152376) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID3152376
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESFc1ccc(CNCCN2CCOCC2)cc1
InChIInChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-15-5-6-16-7-9-17-10-8-16/h1-4,15H,5-11H2
InChIKeyRBDOLGPRWKKECN-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine (CID 3152376) is N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine is Fc1ccc(CNCCN2CCOCC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is RBDOLGPRWKKECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-15-5-6-16-7-9-17-10-8-16/h1-4,15H,5-11H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 3152376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).