Chemical ID: 7101548

CCOCCCNCc1cc(ccc1OC)Br
Chemical ID:
7101548
Name [?]:
N-[(5-bromo-2-methoxy-phenyl)methyl]-3-ethoxy-propan-1-amine
SMILES [?]:
CCOCCCNCc1cc(ccc1OC)Br
InChi [?]:
InChI=1/C13H20BrNO2/c1-3-17-8-4-7-15-10-11-9-12(14)5-6-13(11)16-2/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,5,12,13,6,4,10,8,9,11,14,17,7,15,3/rA:17nCCOCCCNCCCCCCCOCBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrNO2
All Atoms:37
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.85968
Area:482.079
Solvation:-4.19229
Coulombic:-23.9568
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:302.207
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.84
LogP (Chemaxon):2.34

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Descriptor Annotations

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