Chemical ID: 4504805

COc1cc(cc(c1OC)Cl)CNC2CCCC2
Chemical ID:
4504805
Name [?]:
N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]cyclopentanamine
SMILES [?]:
COc1cc(cc(c1OC)Cl)CNC2CCCC2
InChi [?]:
InChI=1/C14H20ClNO2/c1-17-13-8-10(7-12(15)14(13)18-2)9-16-11-5-3-4-6-11/h7-8,11,16H,3-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,17,15,18,6,4,12,5,14,7,3,8,11,13,2,9/E:(3,4)(5,6)/rA:18nCOCCCCCCOCClCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s5;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20ClNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.94511
Area:468.958
Solvation:-3.77884
Coulombic:-24.7857
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.767
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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