[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine

C13H20N2O — CID 16791420

IUPAC[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2cccc(CN)c2)CCO1
InChIInChI=1S/C13H20N2O/c1-11-9-15(5-6-16-11)10-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,8-10,14H2,1H3
InChIKeyQEQIEYOHDKYEOM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.37
Rot. Bonds3

About [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine

[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine (PubChem CID 16791420) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
PubChem CID16791420
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2cccc(CN)c2)CCO1
InChIInChI=1S/C13H20N2O/c1-11-9-15(5-6-16-11)10-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,8-10,14H2,1H3
InChIKeyQEQIEYOHDKYEOM-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine (CID 16791420) is [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine is CC1CN(Cc2cccc(CN)c2)CCO1.
What is the InChIKey of [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine?
The InChIKey is QEQIEYOHDKYEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-9-15(5-6-16-11)10-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,8-10,14H2,1H3.
What are the key properties of [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine?
[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 16791420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).