Chemical ID: 7102600

CCOc1cccc(c1)CNC2CCCC2
Chemical ID:
7102600
Name [?]:
N-[(3-ethoxyphenyl)methyl]cyclopentanamine
SMILES [?]:
CCOc1cccc(c1)CNC2CCCC2
InChi [?]:
InChI=1/C14H21NO/c1-2-16-14-9-5-6-12(10-14)11-15-13-7-3-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,6,7,13,16,5,9,10,8,12,4,11,3/E:(3,4)(7,8)/rA:16nCCOCCCCCCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO
All Atoms:37
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.50182
Area:430.971
Solvation:-2.27245
Coulombic:-17.7477
Bond Count [?]
All:17
Single:14
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.323
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.13
LogP (Chemaxon):2.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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