Chemical ID: 4178503

CCCCN(Cc1ccccc1)Cc2ccc(cc2OC)OC
Chemical ID:
4178503
Name [?]:
N-benzyl-N-[(2,4-dimethoxyphenyl)methyl]butan-1-amine
SMILES [?]:
CCCCN(Cc1ccccc1)Cc2ccc(cc2OC)OC
InChi [?]:
InChI=1/C20H27NO2/c1-4-5-13-21(15-17-9-7-6-8-10-17)16-18-11-12-19(22-2)14-20(18)23-3/h6-12,14H,4-5,13,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,3,10,9,11,8,12,15,16,4,18,6,13,7,14,17,19,5,22,20/E:(7,8)(9,10)/rA:23cCCCCNCCCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.47147
Area:546.537
Solvation:-4.19196
Coulombic:-21.6621
Bond Count [?]
All:24
Single:18
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:313.434
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):4.41

Name Annotations

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Descriptor Annotations

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