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Chemical ID: 4182619
Chemical ID:
4182619
Name [?]:
2-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILES [?]:
COc1ccc(cc1)CNCCc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H18ClNO/c1-19-16-7-5-14(6-8-16)12-18-10-9-13-3-2-4-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,5,7,4,8,12,11,18,9,13,6,17,3,19,10,2/E:(5,6)(7,8)/rA:19nCOCCCCCCCNCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88151 |
Area: | 503.321 |
Solvation: | -2.70153 |
Coulombic: | -18.9815 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.773 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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