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Chemical ID: 7102589
Chemical ID:
7102589
Name [?]:
N-[(3,4-diethoxyphenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1ccc(c(c1)OCC)OCC
InChi [?]:
InChI=1/C15H25NO2/c1-4-7-10-16-12-13-8-9-14(17-5-2)15(11-13)18-6-3/h8-9,11,16H,4-7,10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,15,2,17,14,3,8,9,4,12,6,7,10,11,5,16,13/rA:18nCCCCNCCCCCCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;s10;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17709 |
Area: | 497.206 |
Solvation: | -4.25305 |
Coulombic: | -24.4702 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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