N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine

C15H14Cl2FNO — CID 114857375

IUPACN-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-2-19-9-10-3-4-11(16)7-15(10)20-12-5-6-14(18)13(17)8-12/h3-8,19H,2,9H2,1H3
InChIKeyPJABWTUJNJWJGR-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.03
Rot. Bonds5

About N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine

N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine (PubChem CID 114857375) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
PubChem CID114857375
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC NameN-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-2-19-9-10-3-4-11(16)7-15(10)20-12-5-6-14(18)13(17)8-12/h3-8,19H,2,9H2,1H3
InChIKeyPJABWTUJNJWJGR-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-chloro-2-(3-chloro-4-fluorophenoxy)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-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
CID 114857494
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 63878321
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55257457
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine (CID 114857375) is N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is PJABWTUJNJWJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-2-19-9-10-3-4-11(16)7-15(10)20-12-5-6-14(18)13(17)8-12/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]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-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114857375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).