Chemical ID: 6332582

CC(C)(C)NCC(C)(c1ccc(cc1)Br)O
Chemical ID:
6332582
Name [?]:
2-(4-bromophenyl)-1-tert-butylamino-propan-2-ol
SMILES [?]:
CC(C)(C)NCC(C)(c1ccc(cc1)Br)O
InChi [?]:
InChI=1/C13H20BrNO/c1-12(2,3)15-9-13(4,16)10-5-7-11(14)8-6-10/h5-8,15-16H,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,8,10,14,11,13,6,9,12,2,7,15,5,16/E:(1,2,3)(5,6)(7,8)/rA:16cCCCCNCCCCCCCCCBrO/rB:s1;s2;s2;s2;s5;s6;s7;s7;s9;d10;s11;d12;d9s13;s12;s7;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.65907
Area:430.852
Solvation:-2.11222
Coulombic:-27.4532
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.208
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.14
LogP (Chemaxon):2.9

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Descriptor Annotations

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