4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline

C20H26N2O — CID 653518

IUPAC4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-16(2)18-5-3-17(4-6-18)15-21-19-7-9-20(10-8-19)22-11-13-23-14-12-22/h3-10,16,21H,11-15H2,1-2H3
InChIKeyKDLVYURNHIOMKF-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.26
Rot. Bonds5

About 4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline

4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 653518) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline
PubChem CID653518
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-16(2)18-5-3-17(4-6-18)15-21-19-7-9-20(10-8-19)22-11-13-23-14-12-22/h3-10,16,21H,11-15H2,1-2H3
InChIKeyKDLVYURNHIOMKF-UHFFFAOYSA-N
XLogP4.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.26
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-[(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline (CID 653518) is 4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline is CC(C)c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is KDLVYURNHIOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(2)18-5-3-17(4-6-18)15-21-19-7-9-20(10-8-19)22-11-13-23-14-12-22/h3-10,16,21H,11-15H2,1-2H3.
What are the key properties of 4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline?
4-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 310.44 g/mol, XLogP of 4.26, 5 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-[(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 653518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).