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Chemical ID: 4953128
Chemical ID:
4953128
Name [?]:
N-(2-chloroethyl)-1-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)-1-methyl-ethyl]-propan-2-amine
SMILES [?]:
CC(Cc1ccccc1OC)N(CCCl)C(C)Cc2ccccc2OC
InChi [?]:
InChI=1/C22H30ClNO2/c1-17(15-19-9-5-7-11-21(19)25-3)24(14-13-23)18(2)16-20-10-6-8-12-22(20)26-4/h5-12,17-18H,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,11,26,6,21,7,22,5,20,8,23,14,13,3,18,2,16,4,19,9,24,15,12,10,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(19,20)(21,22)(25,26)/rA:26cCCCCCCCCCOCNCCClCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s2;s12;s13;s14;s12;s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30ClNO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.56189 |
Area: | 517.638 |
Solvation: | -3.37907 |
Coulombic: | -21.2621 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.932 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.31 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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