2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C15H22FN3O2 — CID 114395074

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCOC(CN)C1
InChIInChI=1S/C15H22FN3O2/c1-18(9-12-4-2-3-5-14(12)16)15(20)11-19-6-7-21-13(8-17)10-19/h2-5,13H,6-11,17H2,1H3
InChIKeyPSCKIGUGVFWSCA-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.44
Rot. Bonds5

About 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 114395074) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID114395074
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCOC(CN)C1
InChIInChI=1S/C15H22FN3O2/c1-18(9-12-4-2-3-5-14(12)16)15(20)11-19-6-7-21-13(8-17)10-19/h2-5,13H,6-11,17H2,1H3
InChIKeyPSCKIGUGVFWSCA-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 95351978
N-[(2-fluorophenyl)methyl]-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62654574
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 119926329
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 86932561
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
N-[(2-fluorophenyl)methyl]-N-methyl-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 60505355
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8559413
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60505113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 114395074) is 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CN1CCOC(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is PSCKIGUGVFWSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-18(9-12-4-2-3-5-14(12)16)15(20)11-19-6-7-21-13(8-17)10-19/h2-5,13H,6-11,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 295.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 114395074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).