Chemical ID: 4412296

CCCCNCCCCOc1ccc(c(c1)C)C(C)C
Chemical ID:
4412296
Name [?]:
N-[4-(4-isopropyl-3-methyl-phenoxy)butyl]butan-1-amine
SMILES [?]:
CCCCNCCCCOc1ccc(c(c1)C)C(C)C
InChi [?]:
InChI=1/C18H31NO/c1-5-6-11-19-12-7-8-13-20-17-9-10-18(15(2)3)16(4)14-17/h9-10,14-15,19H,5-8,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,17,2,3,7,8,12,13,4,6,9,16,18,15,11,14,5,10/E:(2,3)/rA:20nCCCCNCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.6241
Area:551.954
Solvation:-2.17472
Coulombic:-18.9444
Bond Count [?]
All:20
Single:17
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:277.445
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.46
LogP (Chemaxon):4.78

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Descriptor Annotations

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