Chemical ID: 4239179

CC1(C2CCC1(C(C2)NCc3ccccc3O)C)C
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

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Descriptor Annotations

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