Chemical ID: 7086074

CCC(C)(C)NCc1c(cccc1Cl)Cl
Chemical ID:
7086074
Name [?]:
N-[(2,6-dichlorophenyl)methyl]-2-methyl-butan-2-amine
SMILES [?]:
CCC(C)(C)NCc1c(cccc1Cl)Cl
InChi [?]:
InChI=1/C12H17Cl2N/c1-4-12(2,3)15-8-9-10(13)6-5-7-11(9)14/h5-7,15H,4,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,11,10,12,7,8,9,13,3,15,14,6/E:(2,3)(6,7)(10,11)(13,14)/rA:15nCCCCCNCCCCCCCClCl/rB:s1;s2;s3;s3;s3;s6;s7;s8;d9;s10;d11;d8s12;s13;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17Cl2N
All Atoms:32
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.43237
Area:411.363
Solvation:-0.851697
Coulombic:-11.7251
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.176
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.44
LogP (Chemaxon):3.91

Name Annotations

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Descriptor Annotations

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