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Chemical ID: 7107288
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
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Experimental Annotations
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Descriptor Annotations
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