Chemical ID: 4489639

CC(C)(C)NCc1cc(ccc1OC2CCCC2)Br
Chemical ID:
4489639
Name [?]:
N-[(5-bromo-2-cyclopentoxy-phenyl)methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1cc(ccc1OC2CCCC2)Br
InChi [?]:
InChI=1/C16H24BrNO/c1-16(2,3)18-11-12-10-13(17)8-9-15(12)19-14-6-4-5-7-14/h8-10,14,18H,4-7,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,17,15,18,10,11,8,6,7,9,14,12,2,19,5,13/E:(1,2,3)(4,5)(6,7)/rA:19nCCCCNCCCCCCCOCCCCCBr/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s14s17;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24BrNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.84069
Area:483.221
Solvation:-2.23984
Coulombic:-17.6056
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.272
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.81
LogP (Chemaxon):4.13

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Descriptor Annotations

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