Chemical ID: 4288865

CCCCOc1ccc(cc1)CNc2ccc3c(c2)CCC3
Chemical ID:
4288865
Name [?]:
N-[(4-butoxyphenyl)methyl]indan-5-amine
SMILES [?]:
CCCCOc1ccc(cc1)CNc2ccc3c(c2)CCC3
InChi [?]:
InChI=1/C20H25NO/c1-2-3-13-22-20-11-7-16(8-12-20)15-21-19-10-9-17-5-4-6-18(17)14-19/h7-12,14,21H,2-6,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,22,20,8,10,16,15,7,11,4,19,12,9,17,18,14,6,13,5/E:(7,8)(11,12)/rA:22nCCCCOCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.0862
Area:540.437
Solvation:-2.42468
Coulombic:-21.8503
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.419
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.54
LogP (Chemaxon):5.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue