3-chloro-4-(morpholin-4-ylmethyl)aniline

C11H15ClN2O — CID 28721838

IUPAC3-chloro-4-(morpholin-4-ylmethyl)aniline
SMILESNc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c12-11-7-10(13)2-1-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
InChIKeyDNKXTMCJOGBDQF-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.75
Rot. Bonds2

About 3-chloro-4-(morpholin-4-ylmethyl)aniline

3-chloro-4-(morpholin-4-ylmethyl)aniline (PubChem CID 28721838) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-(morpholin-4-ylmethyl)aniline
PubChem CID28721838
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-4-(morpholin-4-ylmethyl)aniline
SMILESNc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c12-11-7-10(13)2-1-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
InChIKeyDNKXTMCJOGBDQF-UHFFFAOYSA-N
XLogP1.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.75
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-chloro-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 3-chloro-4-(morpholin-4-ylmethyl)aniline (CID 28721838) is 3-chloro-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 3-chloro-4-(morpholin-4-ylmethyl)aniline is Nc1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is DNKXTMCJOGBDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-7-10(13)2-1-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2.
What are the key properties of 3-chloro-4-(morpholin-4-ylmethyl)aniline?
3-chloro-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 226.71 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 28721838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).