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Chemical ID: 5163868
Chemical ID:
5163868
Name [?]:
1-anilino-3-pyrrolidin-1-yl-propan-2-ol
SMILES [?]:
c1ccc(cc1)NCC(CN2CCCC2)O
InChi [?]:
InChI=1/C13H20N2O/c16-13(11-15-8-4-5-9-15)10-14-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,8,10,4,9,7,11,16/E:(2,3)(4,5)(6,7)(8,9)/rA:16cCCCCCCNCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s11s14;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.52547 |
Area: | 423.729 |
Solvation: | -3.06775 |
Coulombic: | -33.9218 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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