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Chemical ID: 5250415
Chemical ID:
5250415
Name [?]:
1-(4-bromophenyl)-2-dipropylamino-ethanol
SMILES [?]:
CCCN(CCC)CC(c1ccc(cc1)Br)O
InChi [?]:
InChI=1/C14H22BrNO/c1-3-9-16(10-4-2)11-14(17)12-5-7-13(15)8-6-12/h5-8,14,17H,3-4,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,11,15,12,14,3,5,8,10,13,9,16,4,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17cCCCNCCCCCCCCCCCBrO/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;d11;s12;d13;d10s14;s13;s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22BrNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.50266 |
Area: | 477.654 |
Solvation: | -2.43868 |
Coulombic: | -24.1197 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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