Chemical ID: 5549437

Cc1cc(ccc1NC2CCN(CC2)Cc3ccccc3)Br
Chemical ID:
5549437
Name [?]:
1-benzyl-N-(4-bromo-2-methyl-phenyl)-piperidin-4-amine
SMILES [?]:
Cc1cc(ccc1NC2CCN(CC2)Cc3ccccc3)Br
InChi [?]:
InChI=1/C19H23BrN2/c1-15-13-17(20)7-8-19(15)21-18-9-11-22(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18,21H,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,5,6,10,14,11,13,3,15,2,16,4,9,7,22,8,12/E:(3,4)(5,6)(9,10)(11,12)/rA:22nCCCCCCCNCCCNCCCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;d17;s18;d19;d16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23BrN2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.4342
Area:528.403
Solvation:-1.77587
Coulombic:-19.1386
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:359.303
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.8
LogP (Chemaxon):4.63

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Descriptor Annotations

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