Chemical ID: 7101628

CNCc1cccc(c1)OCc2ccccc2
Chemical ID:
7101628
Name [?]:
N-[(3-benzyloxyphenyl)methyl]methanamine
SMILES [?]:
CNCc1cccc(c1)OCc2ccccc2
InChi [?]:
InChI=1/C15H17NO/c1-16-11-14-8-5-9-15(10-14)17-12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,6,13,17,5,7,9,3,11,12,4,8,2,10/E:(3,4)(6,7)/rA:17nCNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO
All Atoms:34
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.22035
Area:438.491
Solvation:-2.74192
Coulombic:-18.9012
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.302
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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