1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine

C16H17ClFNO — CID 106531241

IUPAC1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCCc1cc(Oc2cc(F)cc(CNC)c2)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-12-8-14(4-5-16(12)17)20-15-7-11(10-19-2)6-13(18)9-15/h4-9,19H,3,10H2,1-2H3
InChIKeyPKIVJIFHFIYYQV-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.55
Rot. Bonds5

About 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106531241) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106531241
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCCc1cc(Oc2cc(F)cc(CNC)c2)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-12-8-14(4-5-16(12)17)20-15-7-11(10-19-2)6-13(18)9-15/h4-9,19H,3,10H2,1-2H3
InChIKeyPKIVJIFHFIYYQV-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226
1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene
CID 80752060
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531190
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469619
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 106531241) is 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine is CCc1cc(Oc2cc(F)cc(CNC)c2)ccc1Cl.
What is the InChIKey of 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is PKIVJIFHFIYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-12-8-14(4-5-16(12)17)20-15-7-11(10-19-2)6-13(18)9-15/h4-9,19H,3,10H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106531241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).