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Chemical ID: 5510437
Chemical ID:
5510437
Name [?]:
N-[(2-chlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-methanamine
SMILES [?]:
CCN1CCCC1CNCc2ccccc2Cl
InChi [?]:
InChI=1/C14H21ClN2/c1-2-17-9-5-7-13(17)11-16-10-12-6-3-4-8-14(12)15/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,5,12,6,15,4,10,8,11,7,16,17,9,3/rA:17cCCNCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21ClN2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.68528 |
Area: | 451.131 |
Solvation: | -1.59298 |
Coulombic: | -15.8317 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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