Chemical ID: 4441685

CCCOc1ccc(cc1)OCCCCNC(C)CC
Chemical ID:
4441685
Name [?]:
4-(4-propoxyphenoxy)-N-sec-butyl-butan-1-amine
SMILES [?]:
CCCOc1ccc(cc1)OCCCCNC(C)CC
InChi [?]:
InChI=1/C17H29NO2/c1-4-13-19-16-8-10-17(11-9-16)20-14-7-6-12-18-15(3)5-2/h8-11,15,18H,4-7,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,2,19,14,13,6,10,7,9,15,3,12,17,5,8,16,4,11/E:(8,9)(10,11)/rA:20cCCCOCCCCCCOCCCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.4374
Area:550.031
Solvation:-3.3134
Coulombic:-25.2781
Bond Count [?]
All:20
Single:17
Double:3
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:279.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.2
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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