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Chemical ID: 6421858
Chemical ID:
6421858
Name [?]:
N,N-dimethyl-5-phenyl-3H-azepin-2-amine
SMILES [?]:
CN(C)C1=NC=CC(=CC1)c2ccccc2
InChi [?]:
InChI=1/C14H16N2/c1-16(2)14-9-8-13(10-11-15-14)12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,13,15,12,16,9,10,7,6,11,8,4,5,2/E:(1,2)(4,5)(6,7)/rA:16nCNCCNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;d8;s4s9;s8;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28992 |
Area: | 406.671 |
Solvation: | -1.87686 |
Coulombic: | -13.035 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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