Chemical ID: 6436108

Cc1ccc(c(c1)OCCCNCC=C)C(C)C
Chemical ID:
6436108
Name [?]:
N-allyl-3-(2-isopropyl-5-methyl-phenoxy)-propan-1-amine
SMILES [?]:
Cc1ccc(c(c1)OCCCNCC=C)C(C)C
InChi [?]:
InChI=1/C16H25NO/c1-5-9-17-10-6-11-18-16-12-14(4)7-8-15(16)13(2)3/h5,7-8,12-13,17H,1,6,9-11H2,2-4H3
InChi Info:
AuxInfo=1/0/N:15,17,18,1,14,10,3,4,13,11,9,7,16,2,5,6,12,8/E:(2,3)/rA:18nCCCCCCCOCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;d14;s5;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.0437
Area:496.004
Solvation:-2.3564
Coulombic:-19.5213
Bond Count [?]
All:18
Single:14
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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