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Chemical ID: 5114980
Chemical ID:
5114980
Name [?]:
3,4-dimethyl-2-phenyl-morpholine
SMILES [?]:
CC1C(OCCN1C)c2ccccc2
InChi [?]:
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,12,11,13,10,14,6,5,2,9,3,7,4/E:(4,5)(6,7)/rA:14cCCCOCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s3;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.45364 |
Area: | 352.076 |
Solvation: | -2.34827 |
Coulombic: | -15.4324 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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