Chemical ID: 5249533

C[N+]1(CCCC1)CC(c2ccccc2)O
Chemical ID:
5249533
Name [?]:
2-(1-methyl-2,3,4,5-tetrahydropyrrol-1-yl)-1-phenyl-ethanol
SMILES [?]:
C[N+]1(CCCC1)CC(c2ccccc2)O
InChi [?]:
InChI=1/C13H20NO/c1-14(9-5-6-10-14)11-13(15)12-7-3-2-4-8-12/h2-4,7-8,13,15H,5-6,9-11H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,11,13,4,5,10,14,3,6,7,9,8,2,15/E:(3,4)(5,6)(7,8)(9,10)/CRV:14+1/rA:15cCN+CCCCCCCCCCCCO/rB:s1;s2;s3;s4;s2s5;s2;s7;s8;s9;d10;s11;d12;d9s13;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20NO+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-18.9563
Area:383.894
Solvation:-28.5536
Coulombic:5.67862
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.304
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.4
LogP (Chemaxon):-2.69

Name Annotations

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Descriptor Annotations

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