Chemical ID: 4413461

CCC(C)c1ccc(cc1)OCCN2CCCC2
Chemical ID:
4413461
Name [?]:
1-[2-(4-sec-butylphenoxy)ethyl]pyrrolidine
SMILES [?]:
CCC(C)c1ccc(cc1)OCCN2CCCC2
InChi [?]:
InChI=1/C16H25NO/c1-3-14(2)15-6-8-16(9-7-15)18-13-12-17-10-4-5-11-17/h6-9,14H,3-5,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,16,17,6,10,7,9,15,18,13,12,3,5,8,14,11/E:(4,5)(6,7)(8,9)(10,11)/rA:18cCCCCCCCCCCOCCNCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.86514
Area:468.329
Solvation:-2.84308
Coulombic:-13.7285
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.27
LogP (Chemaxon):3.69

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