Chemical ID: 5012244

Cc1cc(c(c(c1)CNCc2ccccc2)O)C
Chemical ID:
5012244
Name [?]:
2-(benzylaminomethyl)-4,6-dimethyl-phenol
SMILES [?]:
Cc1cc(c(c(c1)CNCc2ccccc2)O)C
InChi [?]:
InChI=1/C16H19NO/c1-12-8-13(2)16(18)15(9-12)11-17-10-14-6-4-3-5-7-14/h3-9,17-18H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,14,13,15,12,16,3,7,10,8,2,4,11,6,5,9,17/E:(4,5)(6,7)/rA:18nCCCCCCCCNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.24347
Area:454.764
Solvation:-2.12563
Coulombic:-27.4634
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:241.328
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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