Chemical ID: 6668172

Cc1ccc(c(c1)NCc2ccc(cc2)O)OC
Chemical ID:
6668172
Name [?]:
4-[(2-methoxy-5-methyl-phenyl)aminomethyl]phenol
SMILES [?]:
Cc1ccc(c(c1)NCc2ccc(cc2)O)OC
InChi [?]:
InChI=1/C15H17NO2/c1-11-3-8-15(18-2)14(9-11)16-10-12-4-6-13(17)7-5-12/h3-9,16-17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,3,11,15,12,14,4,7,9,2,10,13,6,5,8,16,17/E:(4,5)(6,7)/rA:18nCCCCCCCNCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s5;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.73062
Area:448.889
Solvation:-3.4916
Coulombic:-36.761
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.301
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.32
LogP (Chemaxon):3.33

Name Annotations

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Descriptor Annotations

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