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Chemical ID: 4177686
Chemical ID:
4177686
Name [?]:
[1-(m-tolylmethyl)pyrrolidin-2-yl]methanol
SMILES [?]:
Cc1cccc(c1)CN2CCCC2CO
InChi [?]:
InChI=1/C13H19NO/c1-11-4-2-5-12(8-11)9-14-7-3-6-13(14)10-15/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,11,3,5,12,10,7,8,14,2,6,13,9,15/rA:15cCCCCCCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s9s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.40692 |
Area: | 389.082 |
Solvation: | -2.32013 |
Coulombic: | -23.164 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.04 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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