Chemical ID: 7101608

CNCc1cccc(c1OCc2ccccc2Cl)OC
Chemical ID:
7101608
Name [?]:
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]methanamine
SMILES [?]:
CNCc1cccc(c1OCc2ccccc2Cl)OC
InChi [?]:
InChI=1/C16H18ClNO2/c1-18-10-12-7-5-9-15(19-2)16(12)20-11-13-6-3-4-8-14(13)17/h3-9,18H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,15,6,13,5,16,7,3,11,4,12,17,8,9,18,2,19,10/rA:20nCNCCCCCCCOCCCCCCCClOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s8;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClNO2
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.56302
Area:482.021
Solvation:-3.48751
Coulombic:-26.9775
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.772
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.43
LogP (Chemaxon):3.36

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Descriptor Annotations

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