Chemical ID: 5236070

c1cc(cc(c1)O)C23CCCCC2CN(CC3)CC4CC4
Chemical ID:
5236070
Name [?]:
3-[2-(cyclopropylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
SMILES [?]:
c1cc(cc(c1)O)C23CCCCC2CN(CC3)CC4CC4
InChi [?]:
InChI=1/C19H27NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h3,5-6,12,15,17,21H,1-2,4,7-11,13-14H2
InChi Info:
AuxInfo=1/0/N:11,10,1,12,2,6,20,21,9,17,16,4,18,14,19,3,13,5,8,15,7/E:(7,8)/rA:21cCCCCCCOCCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s8s12;s13;s14;s15;s8s16;s15;s18;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:9.89563
Area:471.701
Solvation:-1.89688
Coulombic:-23.5781
Bond Count [?]
All:24
Single:21
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:285.424
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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