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

C14H22N2O — CID 43542427

IUPACN-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1N1CCOCC1C
InChIInChI=1S/C14H22N2O/c1-3-15-10-13-6-4-5-7-14(13)16-8-9-17-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyVJKWMAMSPBITMO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds4

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

N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine (PubChem CID 43542427) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine
PubChem CID43542427
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1N1CCOCC1C
InChIInChI=1S/C14H22N2O/c1-3-15-10-13-6-4-5-7-14(13)16-8-9-17-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyVJKWMAMSPBITMO-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine (CID 43542427) is N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1N1CCOCC1C.
What is the InChIKey of N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine?
The InChIKey is VJKWMAMSPBITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-15-10-13-6-4-5-7-14(13)16-8-9-17-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine?
N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43542427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).