N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine

C15H13Cl4N — CID 43492874

IUPACN-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl4N/c1-2-20-15(9-6-7-10(16)13(19)8-9)14-11(17)4-3-5-12(14)18/h3-8,15,20H,2H2,1H3
InChIKeyWTMWZLXNQFEBTK-UHFFFAOYSA-N
MW349.09 g/mol
LogP6.00
Rot. Bonds4

About N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine

N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine (PubChem CID 43492874) has the molecular formula C15H13Cl4N and a molecular weight of 349.09 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
PubChem CID43492874
Molecular FormulaC15H13Cl4N
Molecular Weight349.09 g/mol
Exact Mass346.98
IUPAC NameN-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl4N/c1-2-20-15(9-6-7-10(16)13(19)8-9)14-11(17)4-3-5-12(14)18/h3-8,15,20H,2H2,1H3
InChIKeyWTMWZLXNQFEBTK-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.09
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 65433237
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492861
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine (CID 43492874) is N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is WTMWZLXNQFEBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N/c1-2-20-15(9-6-7-10(16)13(19)8-9)14-11(17)4-3-5-12(14)18/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 349.09 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43492874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).