Chemical ID: 7061677

CCCCN(CCCC)CCOc1ccc(cc1)C
Chemical ID:
7061677
Name [?]:
N-butyl-N-[2-(4-methylphenoxy)ethyl]butan-1-amine
SMILES [?]:
CCCCN(CCCC)CCOc1ccc(cc1)C
InChi [?]:
InChI=1/C17H29NO/c1-4-6-12-18(13-7-5-2)14-15-19-17-10-8-16(3)9-11-17/h8-11H,4-7,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,19,2,8,3,7,15,17,14,18,4,6,10,11,16,13,5,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:19nCCCCNCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:48
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.96
Area:521.784
Solvation:-2.08463
Coulombic:-15.2413
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:4.93
LogP (Chemaxon):4.66

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Descriptor Annotations

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