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Chemical ID: 4181473
Chemical ID:
4181473
Name [?]:
N-[3-(2-methoxyphenoxy)propyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCCCOc1ccccc1OC
InChi [?]:
InChI=1/C14H23NO2/c1-14(2,3)15-10-7-11-17-13-9-6-5-8-12(13)16-4/h5-6,8-9,15H,7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,13,12,7,14,11,6,8,15,10,2,5,16,9/E:(1,2,3)/rA:17nCCCCNCCCOCCCCCCOC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.04991 |
Area: | 457.276 |
Solvation: | -4.38199 |
Coulombic: | -23.9858 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 237.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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