Chemical ID: 4441310

CCC(C)NCCCOc1ccc(c(c1)C)C(C)C
Chemical ID:
4441310
Name [?]:
N-[3-(4-isopropyl-3-methyl-phenoxy)propyl]butan-2-amine
SMILES [?]:
CCC(C)NCCCOc1ccc(c(c1)C)C(C)C
InChi [?]:
InChI=1/C17H29NO/c1-6-15(5)18-10-7-11-19-16-8-9-17(13(2)3)14(4)12-16/h8-9,12-13,15,18H,6-7,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,18,19,16,4,2,7,11,12,6,8,15,17,14,3,10,13,5,9/E:(2,3)/rA:19cCCCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:10.6135
Area:513.812
Solvation:-2.23182
Coulombic:-18.3355
Bond Count [?]
All:19
Single:16
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:263.418
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):4.35

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