5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline

C16H16Cl3NO — CID 63453538

IUPAC5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl3NO/c1-2-8-21-16-7-6-11(17)9-15(16)20-10-12-13(18)4-3-5-14(12)19/h3-7,9,20H,2,8,10H2,1H3
InChIKeyOCCROJWXLROXNZ-UHFFFAOYSA-N
MW344.67 g/mol
LogP6.05
Rot. Bonds6

About 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline

5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline (PubChem CID 63453538) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
PubChem CID63453538
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl3NO/c1-2-8-21-16-7-6-11(17)9-15(16)20-10-12-13(18)4-3-5-14(12)19/h3-7,9,20H,2,8,10H2,1H3
InChIKeyOCCROJWXLROXNZ-UHFFFAOYSA-N
XLogP6.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline
CID 103347674
3-[(5-chloro-2-propoxyanilino)methyl]benzonitrile
CID 60934911
5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
CID 54864869
5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
CID 63453193
5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62746982
4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol
CID 107685652
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
5-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-propoxyaniline
CID 87029729
5-chloro-2-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39394866
5-[(5-chloro-2-propoxyanilino)methyl]furan-3-carboxylic acid
CID 104608688
3-chloro-N-[(3-chloro-4-propoxyphenyl)methyl]-2-methylaniline
CID 126144223
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline?
The IUPAC name of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline (CID 63453538) is 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline is CCCOc1ccc(Cl)cc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline?
The InChIKey is OCCROJWXLROXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-2-8-21-16-7-6-11(17)9-15(16)20-10-12-13(18)4-3-5-14(12)19/h3-7,9,20H,2,8,10H2,1H3.
What are the key properties of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline?
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline has a molecular weight of 344.67 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline is sourced from PubChem (CID 63453538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).