4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine

C12H19N3O — CID 67412616

IUPAC4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1)N1CCOCC1
InChIInChI=1S/C12H19N3O/c1-10(15-6-8-16-9-7-15)14-12-4-2-11(13)3-5-12/h2-5,10,14H,6-9,13H2,1H3
InChIKeyHNIQQOGZXYNHMA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.36
Rot. Bonds3

About 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine

4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine (PubChem CID 67412616) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine
PubChem CID67412616
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1)N1CCOCC1
InChIInChI=1S/C12H19N3O/c1-10(15-6-8-16-9-7-15)14-12-4-2-11(13)3-5-12/h2-5,10,14H,6-9,13H2,1H3
InChIKeyHNIQQOGZXYNHMA-UHFFFAOYSA-N
XLogP1.36
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine (CID 67412616) is 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine is CC(Nc1ccc(N)cc1)N1CCOCC1.
What is the InChIKey of 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine?
The InChIKey is HNIQQOGZXYNHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(15-6-8-16-9-7-15)14-12-4-2-11(13)3-5-12/h2-5,10,14H,6-9,13H2,1H3.
What are the key properties of 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine?
4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 67412616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).