3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline

C20H15Cl4NO — CID 23996472

IUPAC3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(NCc2ccccc2OCc2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C20H15Cl4NO/c21-16-5-3-6-17(22)15(16)12-26-20-7-2-1-4-13(20)11-25-14-8-9-18(23)19(24)10-14/h1-10,25H,11-12H2
InChIKeyLBXCQGMJRXBWKJ-UHFFFAOYSA-N
MW427.16 g/mol
LogP7.49
Rot. Bonds6

About 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline

3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 23996472) has the molecular formula C20H15Cl4NO and a molecular weight of 427.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID23996472
Molecular FormulaC20H15Cl4NO
Molecular Weight427.16 g/mol
Exact Mass424.99
IUPAC Name3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(NCc2ccccc2OCc2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C20H15Cl4NO/c21-16-5-3-6-17(22)15(16)12-26-20-7-2-1-4-13(20)11-25-14-8-9-18(23)19(24)10-14/h1-10,25H,11-12H2
InChIKeyLBXCQGMJRXBWKJ-UHFFFAOYSA-N
XLogP7.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.16
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 23851103
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126212904
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843
3,4-dichloro-N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126205943
2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
CID 107678736
4-bromo-3-chloro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 103601552
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540399
2-chloro-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]benzoic acid
CID 17058983
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methoxyaniline
CID 66540309
N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66540435
4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 5201941

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline (CID 23996472) is 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline is Clc1ccc(NCc2ccccc2OCc2c(Cl)cccc2Cl)cc1Cl.
What is the InChIKey of 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is LBXCQGMJRXBWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl4NO/c21-16-5-3-6-17(22)15(16)12-26-20-7-2-1-4-13(20)11-25-14-8-9-18(23)19(24)10-14/h1-10,25H,11-12H2.
What are the key properties of 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline?
3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 427.16 g/mol, XLogP of 7.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 23996472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).