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Chemical ID: 4239179
Chemical ID:
4239179
Name [?]:
2-[(1,7,7-trimethylnorbornan-2-yl)aminomethyl]phenol
SMILES [?]:
CC1(C2CCC1(C(C2)NCc3ccccc3O)C)C
InChi [?]:
InChI=1/C17H25NO/c1-16(2)13-8-9-17(16,3)15(10-13)18-11-12-6-4-5-7-14(12)19/h4-7,13,15,18-19H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,13,14,12,15,4,5,8,10,11,3,16,7,2,6,9,17/E:(1,2)/rA:19cCCCCCCCCNCCCCCCCOCC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.47099 |
Area: | 445.425 |
Solvation: | -1.66463 |
Coulombic: | -27.5829 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 259.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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