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

C17H19Cl2N — CID 43229696

IUPAC2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline
SMILESCC(C)(C)c1ccccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-17(2,3)13-7-4-5-10-16(13)20-11-12-14(18)8-6-9-15(12)19/h4-10,20H,11H2,1-3H3
InChIKeyFCDLFLBNBIZSCR-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.90
Rot. Bonds3

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

2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline (PubChem CID 43229696) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline
PubChem CID43229696
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline
SMILESCC(C)(C)c1ccccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-17(2,3)13-7-4-5-10-16(13)20-11-12-14(18)8-6-9-15(12)19/h4-10,20H,11H2,1-3H3
InChIKeyFCDLFLBNBIZSCR-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326
N-(2-tert-butylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 7920165
N-[(2,3,6-trichlorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 43758457
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108954677
2-tert-butyl-N-propylaniline
CID 39238556
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
3-chloro-2-[(2-iodoanilino)methyl]phenol
CID 113276494

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline?
The IUPAC name of 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline (CID 43229696) is 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline?
The canonical SMILES for 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline is CC(C)(C)c1ccccc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline?
The InChIKey is FCDLFLBNBIZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-17(2,3)13-7-4-5-10-16(13)20-11-12-14(18)8-6-9-15(12)19/h4-10,20H,11H2,1-3H3.
What are the key properties of 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline?
2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline has a molecular weight of 308.25 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 43229696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).