Chemical ID: 4235677

Cc1cc(ccc1C(C)C)OCCNCCCOC
Chemical ID:
4235677
Name [?]:
N-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-3-methoxy-propan-1-amine
SMILES [?]:
Cc1cc(ccc1C(C)C)OCCNCCCOC
InChi [?]:
InChI=1/C16H27NO2/c1-13(2)16-7-6-15(12-14(16)3)19-11-9-17-8-5-10-18-4/h6-7,12-13,17H,5,8-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:9,10,1,19,16,5,6,15,13,17,12,3,8,2,4,7,14,18,11/E:(1,2)/rA:19nCCCCCCCCCCOCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.03651
Area:519.51
Solvation:-3.95125
Coulombic:-25.122
Bond Count [?]
All:19
Single:16
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:265.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.56
LogP (Chemaxon):2.96

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