Chemical ID: 4411888

CCC(C)c1ccccc1OCCN2CCCC2
Chemical ID:
4411888
Name [?]:
1-[2-(2-sec-butylphenoxy)ethyl]pyrrolidine
SMILES [?]:
CCC(C)c1ccccc1OCCN2CCCC2
InChi [?]:
InChI=1/C16H25NO/c1-3-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-7-11-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,7,8,16,17,6,9,15,18,13,12,3,5,10,14,11/E:(6,7)(10,11)/rA:18cCCCCCCCCCCOCCNCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;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:8.84487
Area:464.88
Solvation:-2.77714
Coulombic:-13.9501
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:4.06
LogP (Chemaxon):3.69

Name Annotations

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Descriptor Annotations

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