[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol

C13H18F2N2O2 — CID 102932075

IUPAC[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2c(F)cc(CN)cc2F)CC(CO)O1
InChIInChI=1S/C13H18F2N2O2/c1-8-5-17(6-10(7-18)19-8)13-11(14)2-9(4-16)3-12(13)15/h2-3,8,10,18H,4-7,16H2,1H3
InChIKeyIIRUUXAZQLUISB-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.01
Rot. Bonds3

About [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol

[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932075) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932075
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2c(F)cc(CN)cc2F)CC(CO)O1
InChIInChI=1S/C13H18F2N2O2/c1-8-5-17(6-10(7-18)19-8)13-11(14)2-9(4-16)3-12(13)15/h2-3,8,10,18H,4-7,16H2,1H3
InChIKeyIIRUUXAZQLUISB-UHFFFAOYSA-N
XLogP1.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63051244
(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
CID 59545402
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040
[4-[4-(aminomethyl)-2,6-difluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81204114
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63051245
[4-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 114073629
[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932063
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63051584
[4-[4-(aminomethyl)pyridazin-3-yl]-6-methylmorpholin-2-yl]methanol
CID 102932038
[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
CID 102931988
[6-methyl-4-(2,4,6-trimethylphenyl)morpholin-2-yl]methanamine
CID 82296607

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol (CID 102932075) is [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol is CC1CN(c2c(F)cc(CN)cc2F)CC(CO)O1.
What is the InChIKey of [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is IIRUUXAZQLUISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8-5-17(6-10(7-18)19-8)13-11(14)2-9(4-16)3-12(13)15/h2-3,8,10,18H,4-7,16H2,1H3.
What are the key properties of [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol?
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 272.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).