4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline

C13H20Cl2N2 — CID 56985417

IUPAC4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline
SMILESCC(Cc1cc(Cl)c(N)c(Cl)c1)NC(C)(C)C
InChIInChI=1S/C13H20Cl2N2/c1-8(17-13(2,3)4)5-9-6-10(14)12(16)11(15)7-9/h6-8,17H,5,16H2,1-4H3
InChIKeySBMVNAZRUYXMIS-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.89
Rot. Bonds3

About 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline

4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline (PubChem CID 56985417) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline.

Molecular Properties

Compound Name4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline
PubChem CID56985417
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline
SMILESCC(Cc1cc(Cl)c(N)c(Cl)c1)NC(C)(C)C
InChIInChI=1S/C13H20Cl2N2/c1-8(17-13(2,3)4)5-9-6-10(14)12(16)11(15)7-9/h6-8,17H,5,16H2,1-4H3
InChIKeySBMVNAZRUYXMIS-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-4-[2-(methylamino)ethyl]-6-(trifluoromethyl)aniline
CID 20433669
2-chloro-6-fluoro-4-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 20433755
N-methyl-N-[2-(4-amino-3-chloro-5-fluoro-phenyl)-ethyl]-amine
CID 20433831
2,6-Dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline
CID 21274779
4-[2-(Tert-butylamino)-1-chloroethyl]-2-chloro-6-(trifluoromethyl)aniline
CID 57910338
4-[(Tert-butylamino)methyl]-2-chloro-6-(trifluoromethyl)aniline
CID 68521580
4-[2-(Butylamino)-1-chloroethyl]-2-chloro-6-(trifluoromethyl)aniline
CID 89142313
1-[[2,6-Dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine
CID 90746753
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 141756660
2-chloro-4-methyl-N-(2-phenylethyl)aniline
CID 28876975
2-(4-Amino-3,5-dichlorophenyl)-2-(t-amylamino)ethanol
CID 154732238
2-(4-Amino-3,5-dichlorophenyl)-2-(t-amylamino)ethanol hydrochloride
CID 154732256

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline?
The IUPAC name of 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline (CID 56985417) is 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline.
What is the SMILES notation for 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline?
The canonical SMILES for 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline is CC(Cc1cc(Cl)c(N)c(Cl)c1)NC(C)(C)C.
What is the InChIKey of 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline?
The InChIKey is SBMVNAZRUYXMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-8(17-13(2,3)4)5-9-6-10(14)12(16)11(15)7-9/h6-8,17H,5,16H2,1-4H3.
What are the key properties of 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline?
4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline has a molecular weight of 275.22 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline is sourced from PubChem (CID 56985417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).