[3-(morpholin-4-ylmethyl)phenyl]methanamine

C12H18N2O — CID 6484182

IUPAC[3-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESNCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H18N2O/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,9-10,13H2
InChIKeyJCIFAZAIURDZQN-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.98
Rot. Bonds3

About [3-(morpholin-4-ylmethyl)phenyl]methanamine

[3-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 6484182) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)phenyl]methanamine
PubChem CID6484182
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[3-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESNCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H18N2O/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,9-10,13H2
InChIKeyJCIFAZAIURDZQN-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of [3-(morpholin-4-ylmethyl)phenyl]methanamine (CID 6484182) is [3-(morpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for [3-(morpholin-4-ylmethyl)phenyl]methanamine is NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is JCIFAZAIURDZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,9-10,13H2.
What are the key properties of [3-(morpholin-4-ylmethyl)phenyl]methanamine?
[3-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 6484182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).