N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline

C16H17Cl2N — CID 63448215

IUPACN-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-3-12-7-4-6-11(2)16(12)19-10-13-14(17)8-5-9-15(13)18/h4-9,19H,3,10H2,1-2H3
InChIKeyYUIHIYBVPMTDHJ-UHFFFAOYSA-N
MW294.22 g/mol
LogP5.48
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline

N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline (PubChem CID 63448215) has the molecular formula C16H17Cl2N and a molecular weight of 294.22 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
PubChem CID63448215
Molecular FormulaC16H17Cl2N
Molecular Weight294.22 g/mol
Exact Mass293.07
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-3-12-7-4-6-11(2)16(12)19-10-13-14(17)8-5-9-15(13)18/h4-9,19H,3,10H2,1-2H3
InChIKeyYUIHIYBVPMTDHJ-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.22
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448170
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
CID 12905140
2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475131
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline (CID 63448215) is N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline?
The InChIKey is YUIHIYBVPMTDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-12-7-4-6-11(2)16(12)19-10-13-14(17)8-5-9-15(13)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline?
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline has a molecular weight of 294.22 g/mol, XLogP of 5.48, 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)methyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 63448215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).