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Chemical ID: 4253301
Chemical ID:
4253301
Name [?]:
2-morpholino-1-phenyl-ethanamine
SMILES [?]:
c1ccc(cc1)C(CN2CCOCC2)N
InChi [?]:
InChI=1/C12H18N2O/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,14,11,13,8,4,7,15,9,12/E:(2,3)(4,5)(6,7)(8,9)/rA:15cCCCCCCCCNCCOCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.88003 |
Area: | 390.809 |
Solvation: | -2.89019 |
Coulombic: | -26.4763 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.7 |
LogP (Chemaxon): | 0.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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