Chemical ID: 7101616

CNCc1ccc(c(c1)OC)OCc2ccc(cc2)F
Chemical ID:
7101616
Name [?]:
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]methanamine
SMILES [?]:
CNCc1ccc(c(c1)OC)OCc2ccc(cc2)F
InChi [?]:
InChI=1/C16H18FNO2/c1-18-10-13-5-8-15(16(9-13)19-2)20-11-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,15,19,5,16,18,6,9,3,13,14,4,17,7,8,20,2,10,12/E:(3,4)(6,7)/rA:20nCNCCCCCCCOCOCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18FNO2
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.52508
Area:484.367
Solvation:-5.58411
Coulombic:-28.1875
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.318
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.97
LogP (Chemaxon):2.98

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Descriptor Annotations

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