Chemical ID: 4414156

Cc1ccc(cc1OCCCCNCCN)C(C)C
Chemical ID:
4414156
Name [?]:
N-[4-(5-isopropyl-2-methyl-phenoxy)butyl]ethane-1,2-diamine
SMILES [?]:
Cc1ccc(cc1OCCCCNCCN)C(C)C
InChi [?]:
InChI=1/C16H28N2O/c1-13(2)15-7-6-14(3)16(12-15)19-11-5-4-9-18-10-8-17/h6-7,12-13,18H,4-5,8-11,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,19,1,11,10,3,4,15,12,14,9,6,17,2,5,7,16,13,8/E:(1,2)/rA:19nCCCCCCCOCCCCNCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s5;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.594
Area:523.527
Solvation:-2.49414
Coulombic:-30.2947
Bond Count [?]
All:19
Single:16
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:264.406
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.12
LogP (Chemaxon):2.79

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