Chemical ID: 4952114

CCN(CC)CC(c1ccc(cc1)Br)O
Chemical ID:
4952114
Name [?]:
1-(4-bromophenyl)-2-diethylamino-ethanol
SMILES [?]:
CCN(CC)CC(c1ccc(cc1)Br)O
InChi [?]:
InChI=1/C12H18BrNO/c1-3-14(4-2)9-12(15)10-5-7-11(13)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,13,10,12,6,8,11,7,14,3,15/E:(1,2)(3,4)(5,6)(7,8)/rA:15cCCNCCCCCCCCCCBrO/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18BrNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.14959
Area:423.908
Solvation:-2.44811
Coulombic:-23.3265
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.181
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.81
LogP (Chemaxon):3.04

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Descriptor Annotations

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