5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline

C16H17Cl2NO — CID 106816634

IUPAC5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NCc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-3-20-16-7-6-13(17)9-15(16)19-10-12-5-4-11(2)14(18)8-12/h4-9,19H,3,10H2,1-2H3
InChIKeyLIKCSXDBYUBBRC-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.31
Rot. Bonds5

About 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline

5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline (PubChem CID 106816634) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
PubChem CID106816634
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NCc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-3-20-16-7-6-13(17)9-15(16)19-10-12-5-4-11(2)14(18)8-12/h4-9,19H,3,10H2,1-2H3
InChIKeyLIKCSXDBYUBBRC-UHFFFAOYSA-N
XLogP5.31
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 ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118360
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-ethoxyaniline
CID 60935607
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline?
The IUPAC name of 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline (CID 106816634) is 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline.
What is the SMILES notation for 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline?
The canonical SMILES for 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline is CCOc1ccc(Cl)cc1NCc1ccc(C)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline?
The InChIKey is LIKCSXDBYUBBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-20-16-7-6-13(17)9-15(16)19-10-12-5-4-11(2)14(18)8-12/h4-9,19H,3,10H2,1-2H3.
What are the key properties of 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline?
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline has a molecular weight of 310.22 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline is sourced from PubChem (CID 106816634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).