N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine

C15H15Cl2NO — CID 43282972

IUPACN-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-2-18-10-11-12(16)7-5-9-14(11)19-15-8-4-3-6-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyLTQYDJIPNKJYGG-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.90
Rot. Bonds5

About N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine

N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine (PubChem CID 43282972) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
PubChem CID43282972
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-2-18-10-11-12(16)7-5-9-14(11)19-15-8-4-3-6-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyLTQYDJIPNKJYGG-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-[[2-chloro-6-(2-ethylphenoxy)phenyl]methyl]ethanamine
CID 43283802
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
CID 43283090
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]ethanamine
CID 63552227
N-[[6-(2-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295900
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282754
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine (CID 43282972) is N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1Oc1ccccc1Cl.
What is the InChIKey of N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is LTQYDJIPNKJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-18-10-11-12(16)7-5-9-14(11)19-15-8-4-3-6-13(15)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(2-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-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43282972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).