Chemical ID: 7102303

CCC(C)NCc1cccc(c1OCc2ccccc2)OCC
Chemical ID:
7102303
Name [?]:
N-[(2-benzyloxy-3-ethoxy-phenyl)methyl]butan-2-amine
SMILES [?]:
CCC(C)NCc1cccc(c1OCc2ccccc2)OCC
InChi [?]:
InChI=1/C20H27NO2/c1-4-16(3)21-14-18-12-9-13-19(22-5-2)20(18)23-15-17-10-7-6-8-11-17/h6-13,16,21H,4-5,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,4,2,22,18,17,19,9,16,20,8,10,6,14,3,15,7,11,12,5,21,13/E:(7,8)(10,11)/rA:23cCCCCNCCCCCCCOCCCCCCCOCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s11;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27NO2
All Atoms:50
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.09957
Area:541.458
Solvation:-4.43689
Coulombic:-26.4413
Bond Count [?]
All:24
Single:18
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:313.434
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.47
LogP (Chemaxon):4.41

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Descriptor Annotations

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