5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide

C19H23FN2O2 — CID 90882895

IUPAC5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide
SMILESNCc1ccc(CCCC(OCc2ccc(F)cc2)C(N)=O)cc1
InChIInChI=1S/C19H23FN2O2/c20-17-10-8-16(9-11-17)13-24-18(19(22)23)3-1-2-14-4-6-15(12-21)7-5-14/h4-11,18H,1-3,12-13,21H2,(H2,22,23)
InChIKeyOFWYBZZWLDFZJV-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.68
Rot. Bonds9

About 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide

5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide (PubChem CID 90882895) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide
PubChem CID90882895
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide
SMILESNCc1ccc(CCCC(OCc2ccc(F)cc2)C(N)=O)cc1
InChIInChI=1S/C19H23FN2O2/c20-17-10-8-16(9-11-17)13-24-18(19(22)23)3-1-2-14-4-6-15(12-21)7-5-14/h4-11,18H,1-3,12-13,21H2,(H2,22,23)
InChIKeyOFWYBZZWLDFZJV-UHFFFAOYSA-N
XLogP2.68
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide (CID 90882895) is 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide is NCc1ccc(CCCC(OCc2ccc(F)cc2)C(N)=O)cc1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide?
The InChIKey is OFWYBZZWLDFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-17-10-8-16(9-11-17)13-24-18(19(22)23)3-1-2-14-4-6-15(12-21)7-5-14/h4-11,18H,1-3,12-13,21H2,(H2,22,23).
What are the key properties of 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide?
5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide has a molecular weight of 330.40 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methoxy]pentanamide is sourced from PubChem (CID 90882895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).