3-(morpholin-4-ylmethyl)aniline

C11H16N2O — CID 1096406

IUPAC3-(morpholin-4-ylmethyl)aniline
SMILESNc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C11H16N2O/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9,12H2
InChIKeyIHHKTIKNEDOMIK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.10
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)aniline

3-(morpholin-4-ylmethyl)aniline (PubChem CID 1096406) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)aniline
PubChem CID1096406
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(morpholin-4-ylmethyl)aniline
SMILESNc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C11H16N2O/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9,12H2
InChIKeyIHHKTIKNEDOMIK-UHFFFAOYSA-N
XLogP1.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 3-(morpholin-4-ylmethyl)aniline (CID 1096406) is 3-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 3-(morpholin-4-ylmethyl)aniline is Nc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)aniline?
The InChIKey is IHHKTIKNEDOMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9,12H2.
What are the key properties of 3-(morpholin-4-ylmethyl)aniline?
3-(morpholin-4-ylmethyl)aniline has a molecular weight of 192.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 1096406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).