N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine

C16H17ClFNO2 — CID 63070975

IUPACN-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C16H17ClFNO2/c1-20-8-7-19-11-12-5-6-16(15(18)9-12)21-14-4-2-3-13(17)10-14/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyTYQRNHINQMUIPE-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.01
Rot. Bonds7

About N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine

N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine (PubChem CID 63070975) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
PubChem CID63070975
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC NameN-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C16H17ClFNO2/c1-20-8-7-19-11-12-5-6-16(15(18)9-12)21-14-4-2-3-13(17)10-14/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyTYQRNHINQMUIPE-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63071176
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63552934
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43282990
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
3-[2-fluoro-4-[(2-phenoxyethylamino)methyl]phenoxy]phenol
CID 141198947
N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63550513
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 64856002
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 43283689

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine (CID 63070975) is N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Oc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine?
The InChIKey is TYQRNHINQMUIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-20-8-7-19-11-12-5-6-16(15(18)9-12)21-14-4-2-3-13(17)10-14/h2-6,9-10,19H,7-8,11H2,1H3.
What are the key properties of N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine?
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine has a molecular weight of 309.77 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63070975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).