Chemical ID: 4244847

COc1ccc(cc1OC)CNc2ccccc2O
Chemical ID:
4244847
Name [?]:
2-[(3,4-dimethoxyphenyl)methylamino]phenol
SMILES [?]:
COc1ccc(cc1OC)CNc2ccccc2O
InChi [?]:
InChI=1/C15H17NO3/c1-18-14-8-7-11(9-15(14)19-2)10-16-12-5-3-4-6-13(12)17/h3-9,16-17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,16,14,17,5,4,7,11,6,13,18,3,8,12,19,2,9/rA:19nCOCCCCCCOCCNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.04945
Area:463.741
Solvation:-5.54408
Coulombic:-43.2468
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:259.3
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.96
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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