Chemical ID: 6421858

CN(C)C1=NC=CC(=CC1)c2ccccc2
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

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Descriptor Annotations

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