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Chemical ID: 7100113
Chemical ID:
7100113
Name [?]:
4-methyl-1-phenyl-pentan-2-amine
SMILES [?]:
CC(C)CC(Cc1ccccc1)N
InChi [?]:
InChI=1/C12H19N/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,12,4,6,2,7,5,13/E:(1,2)(4,5)(6,7)/rA:13cCCCCCCCCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N |
All Atoms: | 32 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.38926 |
Area: | 374.151 |
Solvation: | -0.964512 |
Coulombic: | -15.0544 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 177.286 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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