[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol

C13H20N2O2 — CID 102932040

IUPAC[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2cccc(CN)c2)CC(CO)O1
InChIInChI=1S/C13H20N2O2/c1-10-7-15(8-13(9-16)17-10)12-4-2-3-11(5-12)6-14/h2-5,10,13,16H,6-9,14H2,1H3
InChIKeyXQGSYSQVYYRUDW-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.73
Rot. Bonds3

About [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol

[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932040) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932040
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2cccc(CN)c2)CC(CO)O1
InChIInChI=1S/C13H20N2O2/c1-10-7-15(8-13(9-16)17-10)12-4-2-3-11(5-12)6-14/h2-5,10,13,16H,6-9,14H2,1H3
InChIKeyXQGSYSQVYYRUDW-UHFFFAOYSA-N
XLogP0.73
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777953
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84670926
(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545831
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
CID 102935281
[3-(3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777501
2-bromo-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 107279420

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol (CID 102932040) is [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol is CC1CN(c2cccc(CN)c2)CC(CO)O1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is XQGSYSQVYYRUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-7-15(8-13(9-16)17-10)12-4-2-3-11(5-12)6-14/h2-5,10,13,16H,6-9,14H2,1H3.
What are the key properties of [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).