Chemical ID: 5166953

c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)CCN
Chemical ID:
5166953
Name [?]:
2-(3,4-dibenzyloxyphenyl)ethanamine
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)CCN
InChi [?]:
InChI=1/C22H23NO2/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15H,13-14,16-17,23H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,11,10,23,24,13,7,16,12,4,17,9,14,25,8,15/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCOCCCCCCOCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s12;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.70506
Area:591.445
Solvation:-5.08107
Coulombic:-30.7614
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.424
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.28
LogP (Chemaxon):4.46

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Descriptor Annotations

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