Chemical ID: 4462489

CCc1ccccc1OCCN2CCCCCC2
Chemical ID:
4462489
Name [?]:
1-[2-(2-ethylphenoxy)ethyl]azepane
SMILES [?]:
CCc1ccccc1OCCN2CCCCCC2
InChi [?]:
InChI=1/C16H25NO/c1-2-15-9-5-6-10-16(15)18-14-13-17-11-7-3-4-8-12-17/h5-6,9-10H,2-4,7-8,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,5,6,14,17,4,7,13,18,11,10,3,8,12,9/E:(3,4)(7,8)(11,12)/rA:18nCCCCCCCCOCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.69166
Area:453.595
Solvation:-2.64823
Coulombic:-13.889
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.7
LogP (Chemaxon):3.75

Name Annotations

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Descriptor Annotations

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