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

C16H17Cl2NO — CID 63551836

IUPACN-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C16H17Cl2NO/c1-3-19-10-12-4-5-15(6-11(12)2)20-16-8-13(17)7-14(18)9-16/h4-9,19H,3,10H2,1-2H3
InChIKeyFJNJUWKVJAUVHR-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.20
Rot. Bonds5

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

N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine (PubChem CID 63551836) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine
PubChem CID63551836
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C16H17Cl2NO/c1-3-19-10-12-4-5-15(6-11(12)2)20-16-8-13(17)7-14(18)9-16/h4-9,19H,3,10H2,1-2H3
InChIKeyFJNJUWKVJAUVHR-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55222155
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 63552365
[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
CID 62129324
N-[[4-(4-bromo-2-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63550708
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]ethanamine
CID 63552221
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
CID 116802284
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine (CID 63551836) is N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine is CCNCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1C.
What is the InChIKey of N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine?
The InChIKey is FJNJUWKVJAUVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-19-10-12-4-5-15(6-11(12)2)20-16-8-13(17)7-14(18)9-16/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine?
N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 63551836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).