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

C15H15Cl2NO — CID 81154643

IUPACN-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3
InChIKeyVZDPFEWRHWOOQY-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.90
Rot. Bonds5

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

N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine (PubChem CID 81154643) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
PubChem CID81154643
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3
InChIKeyVZDPFEWRHWOOQY-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
CID 81151403
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54038698
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63071176
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63070975
2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81144706

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine (CID 81154643) is N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is VZDPFEWRHWOOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine?
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.90, 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-(3-chlorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 81154643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).