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Chemical ID: 7113801
Chemical ID:
7113801
Name [?]:
N-[(2,6-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-methanamine
SMILES [?]:
CCN1CCCC1CNCc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C14H20Cl2N2/c1-2-18-8-4-5-11(18)9-17-10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,5,6,13,15,4,8,10,7,11,12,16,18,17,9,3/E:(6,7)(13,14)(15,16)/rA:18cCCNCCCCCNCCCCCCCClCl/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20Cl2N2 |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.4222 |
Area: | 475.149 |
Solvation: | -1.45649 |
Coulombic: | -16.0465 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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