Chemical ID: 5510437

CCN1CCCC1CNCc2ccccc2Cl
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

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Descriptor Annotations

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