N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline

C15H15Cl2NO — CID 43677929

IUPACN-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-19-10-11-5-2-3-8-15(11)18-9-12-13(16)6-4-7-14(12)17/h2-8,18H,9-10H2,1H3
InChIKeyWBMIYGWGLXCGJC-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.75
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline

N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline (PubChem CID 43677929) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
PubChem CID43677929
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-19-10-11-5-2-3-8-15(11)18-9-12-13(16)6-4-7-14(12)17/h2-8,18H,9-10H2,1H3
InChIKeyWBMIYGWGLXCGJC-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 112553795
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
3-chloro-2-[(2-propylanilino)methyl]phenol
CID 114317993
2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 61390986
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline
CID 83169174
2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline
CID 43229696
N-(2-fluoroethyl)-2-(methoxymethyl)aniline
CID 80695014

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline (CID 43677929) is N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline is COCc1ccccc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline?
The InChIKey is WBMIYGWGLXCGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-19-10-11-5-2-3-8-15(11)18-9-12-13(16)6-4-7-14(12)17/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline?
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline has a molecular weight of 296.20 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 43677929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).