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

C14H20FN3O2 — CID 107113577

IUPAC4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1cccc(CN)c1F
InChIInChI=1S/C14H20FN3O2/c1-17-14(19)12-9-20-6-5-18(12)8-11-4-2-3-10(7-16)13(11)15/h2-4,12H,5-9,16H2,1H3,(H,17,19)
InChIKeyASOQOZWNEFKBIH-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.23
Rot. Bonds4

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

4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 107113577) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
PubChem CID107113577
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1cccc(CN)c1F
InChIInChI=1S/C14H20FN3O2/c1-17-14(19)12-9-20-6-5-18(12)8-11-4-2-3-10(7-16)13(11)15/h2-4,12H,5-9,16H2,1H3,(H,17,19)
InChIKeyASOQOZWNEFKBIH-UHFFFAOYSA-N
XLogP0.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
4-[(2-amino-6-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106086
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107347522
4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
CID 107933034
4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide
CID 83098387
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106722
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide (CID 107113577) is 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1Cc1cccc(CN)c1F.
What is the InChIKey of 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is ASOQOZWNEFKBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-17-14(19)12-9-20-6-5-18(12)8-11-4-2-3-10(7-16)13(11)15/h2-4,12H,5-9,16H2,1H3,(H,17,19).
What are the key properties of 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide?
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 107113577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).