Chemical ID: 5192629

CC(C)NCCC(=O)c1ccc(cc1)OCc2ccccc2
Chemical ID:
5192629
Name [?]:
1-(4-benzyloxyphenyl)-3-isopropylamino-propan-1-one
SMILES [?]:
CC(C)NCCC(=O)c1ccc(cc1)OCc2ccccc2
InChi [?]:
InChI=1/C19H23NO2/c1-15(2)20-13-12-19(21)17-8-10-18(11-9-17)22-14-16-6-4-3-5-7-16/h3-11,15,20H,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,18,22,10,14,11,13,6,5,16,2,17,9,12,7,4,8,15/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:22nCCCNCCCOCCCCCCOCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2695
Area:549.599
Solvation:-3.47049
Coulombic:-26.4245
Bond Count [?]
All:23
Single:16
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.81
LogP (Chemaxon):3.32

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Descriptor Annotations

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