[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine

C13H18F2N2O — CID 63051244

IUPAC[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
SMILESCC1CN(c2c(F)cc(CN)cc2F)CC(C)O1
InChIInChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)13-11(14)3-10(5-16)4-12(13)15/h3-4,8-9H,5-7,16H2,1-2H3
InChIKeyYSPONTRENDUKFL-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.04
Rot. Bonds2

About [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine

[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine (PubChem CID 63051244) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
PubChem CID63051244
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
SMILESCC1CN(c2c(F)cc(CN)cc2F)CC(C)O1
InChIInChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)13-11(14)3-10(5-16)4-12(13)15/h3-4,8-9H,5-7,16H2,1-2H3
InChIKeyYSPONTRENDUKFL-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
CID 59545402
1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63051245
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63051584
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418
[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63078187
4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine
CID 170064887
[4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
CID 114086254
[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
CID 63077484
[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 63051426
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2,3,5-trifluorobenzoic acid
CID 98041521

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine (CID 63051244) is [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine is CC1CN(c2c(F)cc(CN)cc2F)CC(C)O1.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine?
The InChIKey is YSPONTRENDUKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)13-11(14)3-10(5-16)4-12(13)15/h3-4,8-9H,5-7,16H2,1-2H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine?
[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine has a molecular weight of 256.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 63051244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).