Chemical ID: 7108831

CCOc1cccc(c1)CNCc2ccco2
Chemical ID:
7108831
Name [?]:
1-(3-ethoxyphenyl)-N-(2-furylmethyl)methanamine
SMILES [?]:
CCOc1cccc(c1)CNCc2ccco2
InChi [?]:
InChI=1/C14H17NO2/c1-2-16-13-6-3-5-12(9-13)10-15-11-14-7-4-8-17-14/h3-9,15H,2,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,15,7,5,14,16,9,10,12,8,4,13,11,3,17/rA:17nCCOCCCCCCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO2
All Atoms:34
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.57632
Area:448.285
Solvation:-3.63081
Coulombic:-23.6571
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:231.29
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.28
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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