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Chemical ID: 4122140
Chemical ID:
4122140
Name [?]:
N-[(4-fluorophenyl)methyl]-3-morpholino-propan-1-amine
SMILES [?]:
c1cc(ccc1CNCCCN2CCOCC2)F
InChi [?]:
InChI=1/C14H21FN2O/c15-14-4-2-13(3-5-14)12-16-6-1-7-17-8-10-18-11-9-17/h2-5,16H,1,6-12H2
InChi Info:
AuxInfo=1/0/N:10,1,5,2,4,9,11,13,17,14,16,7,6,3,18,8,12,15/E:(2,3)(4,5)(8,9)(10,11)/rA:18nCCCCCCCNCCCNCCOCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21FN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74957 |
Area: | 461.889 |
Solvation: | -3.79765 |
Coulombic: | -26.3342 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.51 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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