[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine

C13H19FN2O — CID 64768324

IUPAC[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2cc(F)ccc2CN)CCO1
InChIInChI=1S/C13H19FN2O/c1-10-8-16(4-5-17-10)9-12-6-13(14)3-2-11(12)7-15/h2-3,6,10H,4-5,7-9,15H2,1H3
InChIKeyRTJVPRCIQWJSTI-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.51
Rot. Bonds3

About [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine

[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine (PubChem CID 64768324) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
PubChem CID64768324
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2cc(F)ccc2CN)CCO1
InChIInChI=1S/C13H19FN2O/c1-10-8-16(4-5-17-10)9-12-6-13(14)3-2-11(12)7-15/h2-3,6,10H,4-5,7-9,15H2,1H3
InChIKeyRTJVPRCIQWJSTI-UHFFFAOYSA-N
XLogP1.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
5-fluoro-2-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 55170973
3-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]aniline
CID 178034876
[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 64768136
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 66393414
[5-methyl-4-[(2-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
CID 62439115
5-fluoro-N'-hydroxy-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 76994225
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
4-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2-methylmorpholine
CID 169422723
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
CID 64769111

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine (CID 64768324) is [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine is CC1CN(Cc2cc(F)ccc2CN)CCO1.
What is the InChIKey of [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine?
The InChIKey is RTJVPRCIQWJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-8-16(4-5-17-10)9-12-6-13(14)3-2-11(12)7-15/h2-3,6,10H,4-5,7-9,15H2,1H3.
What are the key properties of [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine?
[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine has a molecular weight of 238.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 64768324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).