[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine

C14H21FN2O — CID 107113021

IUPAC[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
SMILESCC1CN(Cc2cccc(CN)c2F)CC(C)O1
InChIInChI=1S/C14H21FN2O/c1-10-7-17(8-11(2)18-10)9-13-5-3-4-12(6-16)14(13)15/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyOKVLYAQYKMZGNA-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.89
Rot. Bonds3

About [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine

[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107113021) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107113021
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
SMILESCC1CN(Cc2cccc(CN)c2F)CC(C)O1
InChIInChI=1S/C14H21FN2O/c1-10-7-17(8-11(2)18-10)9-13-5-3-4-12(6-16)14(13)15/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyOKVLYAQYKMZGNA-UHFFFAOYSA-N
XLogP1.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyrrolidine-3-carboxylate
CID 107113533
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
CID 107105834
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113344
[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107555516
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine
CID 757782
[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
CID 107113381
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113388
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964

Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine (CID 107113021) is [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine is CC1CN(Cc2cccc(CN)c2F)CC(C)O1.
What is the InChIKey of [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is OKVLYAQYKMZGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-7-17(8-11(2)18-10)9-13-5-3-4-12(6-16)14(13)15/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine?
[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107113021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).