N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine

C15H14Cl2FNO — CID 43282679

IUPACN-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C15H14Cl2FNO/c1-2-19-9-10-3-6-14(13(18)7-10)20-15-8-11(16)4-5-12(15)17/h3-8,19H,2,9H2,1H3
InChIKeyPMSDTNRTBCAIOY-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.03
Rot. Bonds5

About N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine

N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine (PubChem CID 43282679) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
PubChem CID43282679
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC NameN-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C15H14Cl2FNO/c1-2-19-9-10-3-6-14(13(18)7-10)20-15-8-11(16)4-5-12(15)17/h3-8,19H,2,9H2,1H3
InChIKeyPMSDTNRTBCAIOY-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]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-[[4-(4-bromo-2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 107659542
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]methyl]ethanamine
CID 43282260
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine (CID 43282679) is N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine?
The InChIKey is PMSDTNRTBCAIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-2-19-9-10-3-6-14(13(18)7-10)20-15-8-11(16)4-5-12(15)17/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine?
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine has a molecular weight of 314.19 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 43282679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).