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Chemical ID: 3967828
Chemical ID:
3967828
Name [?]:
3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine
SMILES [?]:
CNCCC(c1ccccc1)Oc2ccccc2OC
InChi [?]:
InChI=1/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,9,8,10,16,15,7,11,17,14,4,3,6,5,18,13,2,19,12/E:(4,5)(8,9)/rA:20cCNCCCCCCCCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.98255 |
Area: | 485.412 |
Solvation: | -4.15274 |
Coulombic: | -26.4647 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 271.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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