Chemical ID: 5163868

c1ccc(cc1)NCC(CN2CCCC2)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue