Chemical ID: 4253544

c1ccc(cc1)CCC2CCCN2
Chemical ID:
4253544
Name [?]:
2-phenethylpyrrolidine
SMILES [?]:
c1ccc(cc1)CCC2CCCN2
InChi [?]:
InChI=1/C12H17N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,12-13H,4,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,10,7,8,12,4,9,13/E:(2,3)(5,6)/rA:13cCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:8.19675
Area:365.499
Solvation:-0.94072
Coulombic:-10.9342
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:175.27
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.59
LogP (Chemaxon):2.62

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Descriptor Annotations

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