Chemical ID: 7061675

CCCCN(CCCC)CCOc1ccccc1C
Chemical ID:
7061675
Name [?]:
N-butyl-N-[2-(2-methylphenoxy)ethyl]butan-1-amine
SMILES [?]:
CCCCN(CCCC)CCOc1ccccc1C
InChi [?]:
InChI=1/C17H29NO/c1-4-6-12-18(13-7-5-2)14-15-19-17-11-9-8-10-16(17)3/h8-11H,4-7,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,19,2,8,3,7,16,15,17,14,4,6,10,11,18,13,5,12/E:(1,2)(4,5)(6,7)(12,13)/rA:19nCCCCNCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:48
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.3182
Area:521.923
Solvation:-2.72985
Coulombic:-14.6514
Bond Count [?]
All:19
Single:16
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:263.418
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.72
LogP (Chemaxon):4.65

Name Annotations

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Descriptor Annotations

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