Chemical ID: 7108514

CC(C)(C)CC(C)(C)NCc1cccc(c1)Br
Chemical ID:
7108514
Name [?]:
N-[(3-bromophenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1cccc(c1)Br
InChi [?]:
InChI=1/C15H24BrN/c1-14(2,3)11-15(4,5)17-10-12-7-6-8-13(16)9-12/h6-9,17H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,13,12,14,16,10,5,11,15,2,6,17,9/E:(1,2,3)(4,5)/rA:17nCCCCCCCCNCCCCCCCBr/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24BrN
All Atoms:41
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.4136
Area:444.996
Solvation:-0.711277
Coulombic:-11.7767
Bond Count [?]
All:17
Single:14
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.262
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.67
LogP (Chemaxon):4.83

Name Annotations

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Descriptor Annotations

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