Chemical ID: 7107288

CCOc1ccc(cc1)CNC2C3CC4CC(C3)CC2C4
Chemical ID:
7107288
Name [?]:
N-[(4-ethoxyphenyl)methyl]adamantan-2-amine
SMILES [?]:
CCOc1ccc(cc1)CNC2C3CC4CC(C3)CC2C4
InChi [?]:
InChI=1/C19H27NO/c1-2-21-18-5-3-13(4-6-18)12-20-19-16-8-14-7-15(10-16)11-17(19)9-14/h3-6,14-17,19-20H,2,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,5,9,16,14,21,18,19,10,7,15,17,13,20,4,12,11,3/E:(3,4)(5,6)(8,9,10,11)(14,15)(16,17)/rA:21nCCOCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO
All Atoms:48
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.90684
Area:484.628
Solvation:-2.20885
Coulombic:-18.1959
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.424
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.63
LogP (Chemaxon):3.71

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