Chemical ID: 7101665

CNCc1cc(ccc1OCc2ccccc2F)Cl
Chemical ID:
7101665
Name [?]:
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
SMILES [?]:
CNCc1cc(ccc1OCc2ccccc2F)Cl
InChi [?]:
InChI=1/C15H15ClFNO/c1-18-9-12-8-13(16)6-7-15(12)19-10-11-4-2-3-5-14(11)17/h2-8,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,7,8,5,3,11,12,4,6,17,9,19,18,2,10/rA:19nCNCCCCCCCOCCCCCCCFCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClFNO
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.81046
Area:468.605
Solvation:-2.90468
Coulombic:-22.6359
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.737
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.94
LogP (Chemaxon):3.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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