Chemical ID: 7107653

CCCCNCc1ccc(cc1)OCC
Chemical ID:
7107653
Name [?]:
N-[(4-ethoxyphenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1ccc(cc1)OCC
InChi [?]:
InChI=1/C13H21NO/c1-3-5-10-14-11-12-6-8-13(9-7-12)15-4-2/h6-9,14H,3-5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,3,8,12,9,11,4,6,7,10,5,13/E:(6,7)(8,9)/rA:15nCCCCNCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:36
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.62928
Area:435.326
Solvation:-2.25388
Coulombic:-17.9668
Bond Count [?]
All:15
Single:12
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.22
LogP (Chemaxon):2.87

Name Annotations

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Descriptor Annotations

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