Chemical ID: 4255534

CCN(CC)CC(COc1ccc(cc1)OC)O
Chemical ID:
4255534
Name [?]:
1-diethylamino-3-(4-methoxyphenoxy)-propan-2-ol
SMILES [?]:
CCN(CC)CC(COc1ccc(cc1)OC)O
InChi [?]:
InChI=1/C14H23NO3/c1-4-15(5-2)10-12(16)11-18-14-8-6-13(17-3)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,17,2,4,12,14,11,15,6,8,7,13,10,3,18,16,9/E:(1,2)(4,5)(6,7)(8,9)/rA:18cCCNCCCCCOCCCCCCOCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.40882
Area:471.608
Solvation:-5.38139
Coulombic:-35.9781
Bond Count [?]
All:18
Single:15
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:253.337
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.88
LogP (Chemaxon):1.83

Name Annotations

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Descriptor Annotations

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