3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline

C17H18ClFN2O2 — CID 132591464

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)c(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C17H18ClFN2O2/c18-14-2-1-3-15(19)13(14)11-23-17-10-12(20)4-5-16(17)21-6-8-22-9-7-21/h1-5,10H,6-9,11,20H2
InChIKeyFCAMECPTEHPJSX-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.48
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline

3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline (PubChem CID 132591464) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline
PubChem CID132591464
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)c(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C17H18ClFN2O2/c18-14-2-1-3-15(19)13(14)11-23-17-10-12(20)4-5-16(17)21-6-8-22-9-7-21/h1-5,10H,6-9,11,20H2
InChIKeyFCAMECPTEHPJSX-UHFFFAOYSA-N
XLogP3.48
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
3-[(2-chlorophenyl)methoxy]-4-pyrrolidin-1-ylaniline
CID 132591450
3-[(2-chloro-4-fluorophenyl)methoxy]-4-pyrrolidin-1-ylaniline
CID 132591447
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-chloro-4-morpholin-4-ylaniline
CID 66543495
3-(difluoromethoxy)-4-morpholin-4-ylaniline
CID 90104676
methyl 5-amino-2-[(2-chloro-6-fluorophenyl)methoxy]benzoate
CID 106955704
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
CID 158409695
CID 158409695
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537734
4-[3-chloro-2-(chloromethyl)phenyl]morpholine
CID 28946203
2-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 114065996

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline (CID 132591464) is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline is Nc1ccc(N2CCOCC2)c(OCc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline?
The InChIKey is FCAMECPTEHPJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-14-2-1-3-15(19)13(14)11-23-17-10-12(20)4-5-16(17)21-6-8-22-9-7-21/h1-5,10H,6-9,11,20H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline?
3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline has a molecular weight of 336.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-morpholin-4-ylaniline is sourced from PubChem (CID 132591464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).