Chemical ID: 7102894

CCC(C)NCc1cc(ccc1OCC)Br
Chemical ID:
7102894
Name [?]:
N-[(5-bromo-2-ethoxy-phenyl)methyl]butan-2-amine
SMILES [?]:
CCC(C)NCc1cc(ccc1OCC)Br
InChi [?]:
InChI=1/C13H20BrNO/c1-4-10(3)15-9-11-8-12(14)6-7-13(11)16-5-2/h6-8,10,15H,4-5,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,4,2,14,10,11,8,6,3,7,9,12,16,5,13/rA:16cCCCCNCCCCCCCOCCBr/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrNO
All Atoms:36
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.81012
Area:446.172
Solvation:-2.34419
Coulombic:-17.1955
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.208
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.91
LogP (Chemaxon):3.68

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