Chemical ID: 4490953

CCOc1ccc(cc1)CNCc2cccs2
Chemical ID:
4490953
Name [?]:
1-(4-ethoxyphenyl)-N-(2-thienylmethyl)methanamine
SMILES [?]:
CCOc1ccc(cc1)CNCc2cccs2
InChi [?]:
InChI=1/C14H17NOS/c1-2-16-13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,2,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,6,8,5,9,16,10,12,7,4,13,11,3,17/E:(5,6)(7,8)/rA:17nCCOCCCCCCCNCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NOS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.88377
Area:464.199
Solvation:-2.7212
Coulombic:-18.2545
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.357
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.64
LogP (Chemaxon):2.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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