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Chemical ID: 5256040
Chemical ID:
5256040
Name [?]:
1-(4-chlorophenyl)-2-methyl-butan-2-amine
SMILES [?]:
CCC(C)(Cc1ccc(cc1)Cl)N
InChi [?]:
InChI=1/C11H16ClN/c1-3-11(2,13)8-9-4-6-10(12)7-5-9/h4-7H,3,8,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,7,11,8,10,5,6,9,3,12,13/E:(4,5)(6,7)/rA:13cCCCCCCCCCCCClN/rB:s1;s2;s3;s3;s5;s6;d7;s8;d9;d6s10;s9;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.44787 |
Area: | 371.309 |
Solvation: | -0.834844 |
Coulombic: | -14.8651 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.704 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.16 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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