Chemical ID: 4675584

CN(C)CC(c1ccc(cc1)Br)O
Chemical ID:
4675584
Name [?]:
1-(4-bromophenyl)-2-dimethylamino-ethanol
SMILES [?]:
CN(C)CC(c1ccc(cc1)Br)O
InChi [?]:
InChI=1/C10H14BrNO/c1-12(2)7-10(13)8-3-5-9(11)6-4-8/h3-6,10,13H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,11,8,10,4,6,9,5,12,2,13/E:(1,2)(3,4)(5,6)/rA:13cCNCCCCCCCCCBrO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14BrNO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.91889
Area:377.524
Solvation:-2.51922
Coulombic:-22.9707
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.128
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):2.35

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Descriptor Annotations

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