Chemical ID: 4064751

Cc1cccc(c1)N(C)CC(COCc2ccccc2)O
Chemical ID:
4064751
Name [?]:
1-benzyloxy-3-(methyl-(m-tolyl)amino)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)N(C)CC(COCc2ccccc2)O
InChi [?]:
InChI=1/C18H23NO2/c1-15-7-6-10-17(11-15)19(2)12-18(20)14-21-13-16-8-4-3-5-9-16/h3-11,18,20H,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,18,17,19,4,3,16,20,5,7,10,14,12,2,15,6,11,8,21,13/E:(4,5)(8,9)/rA:21cCCCCCCCNCCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:7.9939
Area:522.521
Solvation:-5.06912
Coulombic:-32.7339
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.381
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.52
LogP (Chemaxon):4.02

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Descriptor Annotations

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