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

C17H19Cl2NO — CID 114856344

IUPACN-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C17H19Cl2NO/c1-3-12-9-15(7-8-16(12)19)21-17-10-14(18)6-5-13(17)11-20-4-2/h5-10,20H,3-4,11H2,1-2H3
InChIKeyDGCRGNUPMHPSHV-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.46
Rot. Bonds6

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

N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine (PubChem CID 114856344) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
PubChem CID114856344
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C17H19Cl2NO/c1-3-12-9-15(7-8-16(12)19)21-17-10-14(18)6-5-13(17)11-20-4-2/h5-10,20H,3-4,11H2,1-2H3
InChIKeyDGCRGNUPMHPSHV-UHFFFAOYSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857375
N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
CID 114857494
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
CID 63460743
N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62323648
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
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-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine (CID 114856344) is N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is DGCRGNUPMHPSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-12-9-15(7-8-16(12)19)21-17-10-14(18)6-5-13(17)11-20-4-2/h5-10,20H,3-4,11H2,1-2H3.
What are the key properties of N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114856344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).