N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride

C12H19ClN2O — CID 54592689

IUPACN-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
SMILESCNCc1ccccc1N1CCOCC1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-13-10-11-4-2-3-5-12(11)14-6-8-15-9-7-14;/h2-5,13H,6-10H2,1H3;1H
InChIKeyYQLHVQLUQZXLBN-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.66
Rot. Bonds3

About N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride

N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride (PubChem CID 54592689) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
PubChem CID54592689
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
SMILESCNCc1ccccc1N1CCOCC1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-13-10-11-4-2-3-5-12(11)14-6-8-15-9-7-14;/h2-5,13H,6-10H2,1H3;1H
InChIKeyYQLHVQLUQZXLBN-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride (CID 54592689) is N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride is CNCc1ccccc1N1CCOCC1.Cl.
What is the InChIKey of N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride?
The InChIKey is YQLHVQLUQZXLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-13-10-11-4-2-3-5-12(11)14-6-8-15-9-7-14;/h2-5,13H,6-10H2,1H3;1H.
What are the key properties of N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride?
N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 54592689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).