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Chemical ID: 5324901
Chemical ID:
5324901
Name [?]:
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILES [?]:
CN(CCc1ccc(c(c1)Cl)Cl)CCN2CCCC2
InChi [?]:
InChI=1/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,6,7,4,16,19,3,13,14,10,5,8,9,12,11,2,15/E:(2,3)(7,8)/rA:19cCNCCCCCCCCClClCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s8;s2;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22Cl2N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3954 |
Area: | 518.274 |
Solvation: | -1.56146 |
Coulombic: | -12.3393 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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