Chemical ID: 7107464

CC12CC3CC(C1)(CC(C3)(C2)NCc4cccc(c4)Br)C
Chemical ID:
7107464
Name [?]:
N-[(3-bromophenyl)methyl]-3,5-dimethyl-adamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)NCc4cccc(c4)Br)C
InChi [?]:
InChI=1/C19H26BrN/c1-17-7-15-8-18(2,11-17)13-19(9-15,12-17)21-10-14-4-3-5-16(20)6-14/h3-6,15,21H,7-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,15,17,19,3,5,10,13,7,11,8,14,4,18,2,6,9,20,12/E:(1,2)(7,8)(12,13)(17,18)/rA:21cCCCCCCCCCCCNCCCCCCCBrC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s16;d17;d14s18;s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26BrN
All Atoms:47
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:11.1433
Area:481.844
Solvation:-0.902832
Coulombic:-12.01
Bond Count [?]
All:24
Single:21
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:348.32
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.42
LogP (Chemaxon):4.95

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Descriptor Annotations

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