N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide

C16H23FN2O2 — CID 65152276

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCc2ccc(CN)cc2F)C1C
InChIInChI=1S/C16H23FN2O2/c1-9-10(2)21-11(3)15(9)16(20)19-8-13-5-4-12(7-18)6-14(13)17/h4-6,9-11,15H,7-8,18H2,1-3H3,(H,19,20)
InChIKeyZOMTVTPXILJFMY-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.96
Rot. Bonds4

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65152276) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65152276
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCc2ccc(CN)cc2F)C1C
InChIInChI=1S/C16H23FN2O2/c1-9-10(2)21-11(3)15(9)16(20)19-8-13-5-4-12(7-18)6-14(13)17/h4-6,9-11,15H,7-8,18H2,1-3H3,(H,19,20)
InChIKeyZOMTVTPXILJFMY-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 65152276) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCc2ccc(CN)cc2F)C1C.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is ZOMTVTPXILJFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-9-10(2)21-11(3)15(9)16(20)19-8-13-5-4-12(7-18)6-14(13)17/h4-6,9-11,15H,7-8,18H2,1-3H3,(H,19,20).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65152276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).