Chemical ID: 7042774

Cc1cccc(c1)OCC(CNC(C)(C)CC(C)(C)C)O
Chemical ID:
7042774
Name [?]:
1-(3-methylphenoxy)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CNC(C)(C)CC(C)(C)C)O
InChi [?]:
InChI=1/C18H31NO2/c1-14-8-7-9-16(10-14)21-12-15(20)11-19-18(5,6)13-17(2,3)4/h7-10,15,19-20H,11-13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,18,19,20,14,15,4,3,5,7,11,9,16,2,10,6,17,13,12,21,8/E:(2,3,4)(5,6)/rA:21cCCCCCCCOCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s13;s16;s17;s17;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO2
All Atoms:52
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.05943
Area:519.826
Solvation:-3.9362
Coulombic:-34.573
Bond Count [?]
All:21
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:293.444
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):3.97

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Descriptor Annotations

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