4-morpholin-4-yl-N-phenylaniline

C16H18N2O — CID 159018746

IUPAC4-morpholin-4-yl-N-phenylaniline
SMILESc1ccc(Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-4-14(5-3-1)17-15-6-8-16(9-7-15)18-10-12-19-13-11-18/h1-9,17H,10-13H2
InChIKeyQPEFOTGUQSIAGO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.27
Rot. Bonds3

About 4-morpholin-4-yl-N-phenylaniline

4-morpholin-4-yl-N-phenylaniline (PubChem CID 159018746) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-phenylaniline.

Molecular Properties

Compound Name4-morpholin-4-yl-N-phenylaniline
PubChem CID159018746
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-morpholin-4-yl-N-phenylaniline
SMILESc1ccc(Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-4-14(5-3-1)17-15-6-8-16(9-7-15)18-10-12-19-13-11-18/h1-9,17H,10-13H2
InChIKeyQPEFOTGUQSIAGO-UHFFFAOYSA-N
XLogP3.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.27
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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Related Compounds

(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
N-fluoro-4-morpholin-4-ylaniline
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3-methyl-N-(4-morpholin-4-ylphenyl)thiophen-2-amine
CID 174739915
4-(4-benzylphenyl)morpholine
CID 11514364
5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine
CID 63179447
N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166061952
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile
CID 115487689
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110435252

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-phenylaniline?
The IUPAC name of 4-morpholin-4-yl-N-phenylaniline (CID 159018746) is 4-morpholin-4-yl-N-phenylaniline.
What is the SMILES notation for 4-morpholin-4-yl-N-phenylaniline?
The canonical SMILES for 4-morpholin-4-yl-N-phenylaniline is c1ccc(Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-phenylaniline?
The InChIKey is QPEFOTGUQSIAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-4-14(5-3-1)17-15-6-8-16(9-7-15)18-10-12-19-13-11-18/h1-9,17H,10-13H2.
What are the key properties of 4-morpholin-4-yl-N-phenylaniline?
4-morpholin-4-yl-N-phenylaniline has a molecular weight of 254.33 g/mol, XLogP of 3.27, 3 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-phenylaniline is sourced from PubChem (CID 159018746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).