3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline

C17H18ClFN2O — CID 6492062

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline
SMILESFc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClFN2O/c18-16-11-15(20-12-13-1-3-14(19)4-2-13)5-6-17(16)21-7-9-22-10-8-21/h1-6,11,20H,7-10,12H2
InChIKeyDBOWECDEYPQEHI-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.93
Rot. Bonds4

About 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline

3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 6492062) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID6492062
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline
SMILESFc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClFN2O/c18-16-11-15(20-12-13-1-3-14(19)4-2-13)5-6-17(16)21-7-9-22-10-8-21/h1-6,11,20H,7-10,12H2
InChIKeyDBOWECDEYPQEHI-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.93
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 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline (CID 6492062) is 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline is Fc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is DBOWECDEYPQEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c18-16-11-15(20-12-13-1-3-14(19)4-2-13)5-6-17(16)21-7-9-22-10-8-21/h1-6,11,20H,7-10,12H2.
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline?
3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 320.80 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 6492062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).