Chemical ID: 7113801

CCN1CCCC1CNCc2c(cccc2Cl)Cl
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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Descriptor Annotations

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