N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline

C18H22N2O — CID 961186

IUPACN-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-2-4-16(5-3-15)14-19-17-6-8-18(9-7-17)20-10-12-21-13-11-20/h2-9,19H,10-14H2,1H3
InChIKeyNMICZCLVNUHPSS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.44
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline

N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 961186) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID961186
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-2-4-16(5-3-15)14-19-17-6-8-18(9-7-17)20-10-12-21-13-11-20/h2-9,19H,10-14H2,1H3
InChIKeyNMICZCLVNUHPSS-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.44
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 N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline (CID 961186) is N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline is Cc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is NMICZCLVNUHPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-2-4-16(5-3-15)14-19-17-6-8-18(9-7-17)20-10-12-21-13-11-20/h2-9,19H,10-14H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline?
N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 282.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 961186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).