Chemical ID: 5319207

CCOc1ccccc1CNc2ccc(cc2)Cl
Chemical ID:
5319207
Name [?]:
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
SMILES [?]:
CCOc1ccccc1CNc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H16ClNO/c1-2-18-15-6-4-3-5-12(15)11-17-14-9-7-13(16)8-10-14/h3-10,17H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,14,16,13,17,10,9,15,12,4,18,11,3/E:(7,8)(9,10)/rA:18nCCOCCCCCCCNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.28463
Area:470.408
Solvation:-2.47556
Coulombic:-21.5725
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.746
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.34
LogP (Chemaxon):4.0

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Descriptor Annotations

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