Chemical ID: 4121435

COc1ccc(cc1)CNCc2ccc(cc2)SC
Chemical ID:
4121435
Name [?]:
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILES [?]:
COc1ccc(cc1)CNCc2ccc(cc2)SC
InChi [?]:
InChI=1/C16H19NOS/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,5,7,13,17,4,8,14,16,9,11,6,12,3,15,10,2,18/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCOCCCCCCCNCCCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NOS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.36188
Area:498.326
Solvation:-3.09628
Coulombic:-18.7902
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.394
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.9
LogP (Chemaxon):3.75

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