4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline

C20H26N2O — CID 162645730

IUPAC4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C20H26N2O/c1-15-12-16(2)20(17(3)13-15)14-21-18-4-6-19(7-5-18)22-8-10-23-11-9-22/h4-7,12-13,21H,8-11,14H2,1-3H3
InChIKeyIBLZVSNLEMWMGZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.06
Rot. Bonds4

About 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline

4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline (PubChem CID 162645730) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline
PubChem CID162645730
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C20H26N2O/c1-15-12-16(2)20(17(3)13-15)14-21-18-4-6-19(7-5-18)22-8-10-23-11-9-22/h4-7,12-13,21H,8-11,14H2,1-3H3
InChIKeyIBLZVSNLEMWMGZ-UHFFFAOYSA-N
XLogP4.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The IUPAC name of 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline (CID 162645730) is 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The canonical SMILES for 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline is Cc1cc(C)c(CNc2ccc(N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The InChIKey is IBLZVSNLEMWMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-12-16(2)20(17(3)13-15)14-21-18-4-6-19(7-5-18)22-8-10-23-11-9-22/h4-7,12-13,21H,8-11,14H2,1-3H3.
What are the key properties of 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline?
4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline has a molecular weight of 310.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 162645730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).