Chemical ID: 7102456

CCOc1cccc(c1)CNC23CC4CC(C2)CC(C4)C3
Chemical ID:
7102456
Name [?]:
N-[(3-ethoxyphenyl)methyl]adamantan-1-amine
SMILES [?]:
CCOc1cccc(c1)CNC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H27NO/c1-2-21-18-5-3-4-14(9-18)13-20-19-10-15-6-16(11-19)8-17(7-15)12-19/h3-5,9,15-17,20H,2,6-8,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,15,18,20,9,17,13,21,10,8,16,14,19,4,12,11,3/E:(6,7,8)(10,11,12)(15,16,17)/rA:21nCCOCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO
All Atoms:48
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.72075
Area:479.849
Solvation:-2.27549
Coulombic:-18.147
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:4.75
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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