Chemical ID: 5250415

CCCN(CCC)CC(c1ccc(cc1)Br)O
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

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Descriptor Annotations

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