1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine

C13H19FN2O2 — CID 117389175

IUPAC1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-17-15-9-11-2-3-12(13(14)8-11)10-16-4-6-18-7-5-16/h2-3,8,15H,4-7,9-10H2,1H3
InChIKeyVAXZBBJEIFGLKH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.31
Rot. Bonds5

About 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine

1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine (PubChem CID 117389175) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine
PubChem CID117389175
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-17-15-9-11-2-3-12(13(14)8-11)10-16-4-6-18-7-5-16/h2-3,8,15H,4-7,9-10H2,1H3
InChIKeyVAXZBBJEIFGLKH-UHFFFAOYSA-N
XLogP1.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Morpholin-4-ylmethyl-benzylamine
CID 6484182
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
{[(2-Fluorophenyl)methyl][2-(morpholin-4-YL)ethyl]sulfamoyl}dimethylamine
CID 665482
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
[4-(Morpholin-4-ylmethyl)phenyl]methanamine
CID 2795501
(4-Benzylmorpholin-2-ylmethyl)methylamine
CID 51358399

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine (CID 117389175) is 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine is CONCc1ccc(CN2CCOCC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine?
The InChIKey is VAXZBBJEIFGLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-17-15-9-11-2-3-12(13(14)8-11)10-16-4-6-18-7-5-16/h2-3,8,15H,4-7,9-10H2,1H3.
What are the key properties of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine?
1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117389175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).