3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline

C14H20Cl2N2O — CID 106890868

IUPAC3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
SMILESCC1(C)CN(c2c(Cl)cc(N)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C14H20Cl2N2O/c1-13(2)7-18(8-14(3,4)19-13)12-10(15)5-9(17)6-11(12)16/h5-6H,7-8,17H2,1-4H3
InChIKeyPXMYCUATBDLYGW-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.97
Rot. Bonds1

About 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline

3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline (PubChem CID 106890868) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
PubChem CID106890868
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
SMILESCC1(C)CN(c2c(Cl)cc(N)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C14H20Cl2N2O/c1-13(2)7-18(8-14(3,4)19-13)12-10(15)5-9(17)6-11(12)16/h5-6H,7-8,17H2,1-4H3
InChIKeyPXMYCUATBDLYGW-UHFFFAOYSA-N
XLogP3.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline (CID 106890868) is 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline is CC1(C)CN(c2c(Cl)cc(N)cc2Cl)CC(C)(C)O1.
What is the InChIKey of 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The InChIKey is PXMYCUATBDLYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-13(2)7-18(8-14(3,4)19-13)12-10(15)5-9(17)6-11(12)16/h5-6H,7-8,17H2,1-4H3.
What are the key properties of 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline has a molecular weight of 303.23 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline is sourced from PubChem (CID 106890868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).