Chemical ID: 5058296

CC(C)CCN(CCC(C)C)CC(c1ccc(cc1)Br)O
Chemical ID:
5058296
Name [?]:
1-(4-bromophenyl)-2-diisopentylamino-ethanol
SMILES [?]:
CC(C)CCN(CCC(C)C)CC(c1ccc(cc1)Br)O
InChi [?]:
InChI=1/C18H30BrNO/c1-14(2)9-11-20(12-10-15(3)4)13-18(21)16-5-7-17(19)8-6-16/h5-8,14-15,18,21H,9-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,15,19,16,18,4,8,5,7,12,2,9,14,17,13,20,6,21/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21cCCCCCNCCCCCCCCCCCCCBrO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s9;s6;s12;s13;s14;d15;s16;d17;d14s18;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30BrNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:11.7345
Area:568.153
Solvation:-2.46928
Coulombic:-25.2779
Bond Count [?]
All:21
Single:18
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:356.341
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.68
LogP (Chemaxon):5.43

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Descriptor Annotations

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