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Chemical ID: 5256043
Chemical ID:
5256043
Name [?]:
1-(4-chlorophenyl)-2-methyl-pentan-2-amine
SMILES [?]:
CCCC(C)(Cc1ccc(cc1)Cl)N
InChi [?]:
InChI=1/C12H18ClN/c1-3-8-12(2,14)9-10-4-6-11(13)7-5-10/h4-7H,3,8-9,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,8,12,9,11,3,6,7,10,4,13,14/E:(4,5)(6,7)/rA:14cCCCCCCCCCCCCClN/rB:s1;s2;s3;s4;s4;s6;s7;d8;s9;d10;d7s11;s10;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18ClN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.04324 |
Area: | 397.673 |
Solvation: | -0.898587 |
Coulombic: | -15.0369 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.731 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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