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Chemical ID: 7108954
Chemical ID:
7108954
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]-3-ethoxy-propan-1-amine
SMILES [?]:
CCOCCCNCc1cc(ccc1OC)Cl
InChi [?]:
InChI=1/C13H20ClNO2/c1-3-17-8-4-7-15-10-11-9-12(14)5-6-13(11)16-2/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,5,12,13,6,4,10,8,9,11,14,17,7,15,3/rA:17nCCOCCCNCCCCCCCOCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20ClNO2 |
All Atoms: | 37 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94247 |
Area: | 486.509 |
Solvation: | -4.22026 |
Coulombic: | -24.2224 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 257.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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