Chemical ID: 7102589

CCCCNCc1ccc(c(c1)OCC)OCC
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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Descriptor Annotations

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