N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide

C14H19FN2O2 — CID 63359582

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide
SMILESNCc1ccc(CNC(=O)C2CCCOC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c15-13-6-10(7-16)3-4-11(13)8-17-14(18)12-2-1-5-19-9-12/h3-4,6,12H,1-2,5,7-9,16H2,(H,17,18)
InChIKeyKUTDNPMKBZLLIK-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.33
Rot. Bonds4

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide (PubChem CID 63359582) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide
PubChem CID63359582
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide
SMILESNCc1ccc(CNC(=O)C2CCCOC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c15-13-6-10(7-16)3-4-11(13)8-17-14(18)12-2-1-5-19-9-12/h3-4,6,12H,1-2,5,7-9,16H2,(H,17,18)
InChIKeyKUTDNPMKBZLLIK-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.33
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]oxane-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide (CID 63359582) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide is NCc1ccc(CNC(=O)C2CCCOC2)c(F)c1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide?
The InChIKey is KUTDNPMKBZLLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-13-6-10(7-16)3-4-11(13)8-17-14(18)12-2-1-5-19-9-12/h3-4,6,12H,1-2,5,7-9,16H2,(H,17,18).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.33, 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]oxane-3-carboxamide is sourced from PubChem (CID 63359582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).