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Chemical ID: 4770186
Chemical ID:
4770186
Name [?]:
1-(4-methoxyphenoxy)-3-tert-butylamino-propan-2-ol
SMILES [?]:
CC(C)(C)NCC(COc1ccc(cc1)OC)O
InChi [?]:
InChI=1/C14H23NO3/c1-14(2,3)15-9-11(16)10-18-13-7-5-12(17-4)6-8-13/h5-8,11,15-16H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,12,14,11,15,6,8,7,13,10,2,5,18,16,9/E:(1,2,3)(5,6)(7,8)/rA:18cCCCCNCCCOCCCCCCOCO/rB:s1;s2;s2;s2;s5;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: | 6.26506 |
Area: | 472.488 |
Solvation: | -5.54713 |
Coulombic: | -39.384 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 253.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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