N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine

C18H22ClFN2O2 — CID 4724551

IUPACN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFc1ccc(-c2ccc(CNCCCN3CCOCC3)o2)cc1Cl
InChIInChI=1S/C18H22ClFN2O2/c19-16-12-14(2-4-17(16)20)18-5-3-15(24-18)13-21-6-1-7-22-8-10-23-11-9-22/h2-5,12,21H,1,6-11,13H2
InChIKeyYADFOMDLEAXIGG-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.55
Rot. Bonds7

About N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine

N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 4724551) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID4724551
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC NameN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFc1ccc(-c2ccc(CNCCCN3CCOCC3)o2)cc1Cl
InChIInChI=1S/C18H22ClFN2O2/c19-16-12-14(2-4-17(16)20)18-5-3-15(24-18)13-21-6-1-7-22-8-10-23-11-9-22/h2-5,12,21H,1,6-11,13H2
InChIKeyYADFOMDLEAXIGG-UHFFFAOYSA-N
XLogP3.55
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
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-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 4724551) is N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine is Fc1ccc(-c2ccc(CNCCCN3CCOCC3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is YADFOMDLEAXIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O2/c19-16-12-14(2-4-17(16)20)18-5-3-15(24-18)13-21-6-1-7-22-8-10-23-11-9-22/h2-5,12,21H,1,6-11,13H2.
What are the key properties of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 352.84 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 4724551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).