Chemical ID: 7102773

CCNCc1cc(ccc1OCC)Cl
Chemical ID:
7102773
Name [?]:
N-[(5-chloro-2-ethoxy-phenyl)methyl]ethanamine
SMILES [?]:
CCNCc1cc(ccc1OCC)Cl
InChi [?]:
InChI=1/C11H16ClNO/c1-3-13-8-9-7-10(12)5-6-11(9)14-4-2/h5-7,13H,3-4,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,12,8,9,6,4,5,7,10,14,3,11/rA:14nCCNCCCCCCCOCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16ClNO
All Atoms:30
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.83817
Area:411.167
Solvation:-2.44101
Coulombic:-16.9911
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.704
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.92
LogP (Chemaxon):2.52

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Descriptor Annotations

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