Chemical ID: 7004998

c1ccc(c(c1)CNC23CC4CC(C2)CC(C4)C3)O
Chemical ID:
7004998
Name [?]:
2-(1-adamantylaminomethyl)phenol
SMILES [?]:
c1ccc(c(c1)CNC23CC4CC(C2)CC(C4)C3)O
InChi [?]:
InChI=1/C17H23NO/c19-16-4-2-1-3-15(16)11-18-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,18-19H,5-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,15,17,14,10,18,7,13,11,16,5,4,9,8,19/E:(5,6,7)(8,9,10)(12,13,14)/rA:19nCCCCCCCNCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s15;s11s16;s9s16;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23NO
All Atoms:42
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.88746
Area:423.726
Solvation:-1.70568
Coulombic:-27.0735
Bond Count [?]
All:22
Single:19
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.371
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.01
LogP (Chemaxon):2.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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