N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine

C16H17ClFNO — CID 102990193

IUPACN-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(F)ccc2C)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-3-19-10-12-5-7-15(14(17)8-12)20-16-9-13(18)6-4-11(16)2/h4-9,19H,3,10H2,1-2H3
InChIKeyGYYWWHHKUNTZOX-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.69
Rot. Bonds5

About N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine

N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine (PubChem CID 102990193) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
PubChem CID102990193
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(F)ccc2C)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-3-19-10-12-5-7-15(14(17)8-12)20-16-9-13(18)6-4-11(16)2/h4-9,19H,3,10H2,1-2H3
InChIKeyGYYWWHHKUNTZOX-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine 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

N-[[3-(2-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105407095
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107659563
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990039
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine (CID 102990193) is N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2cc(F)ccc2C)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is GYYWWHHKUNTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-19-10-12-5-7-15(14(17)8-12)20-16-9-13(18)6-4-11(16)2/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine?
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 102990193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).