Chemical ID: 4506245

COc1ccccc1CN2CCCC2CO
Chemical ID:
4506245
Name [?]:
[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILES [?]:
COc1ccccc1CN2CCCC2CO
InChi [?]:
InChI=1/C13H19NO2/c1-16-13-7-3-2-5-11(13)9-14-8-4-6-12(14)10-15/h2-3,5,7,12,15H,4,6,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,12,7,13,4,11,9,15,8,14,3,10,16,2/rA:16cCOCCCCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s10s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:6.29168
Area:385.729
Solvation:-3.35156
Coulombic:-29.6969
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.52
LogP (Chemaxon):1.63

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