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Chemical ID: 4294632
Chemical ID:
4294632
Name [?]:
N-butyl-6-(2,6-dimethylphenoxy)-hexan-1-amine
SMILES [?]:
CCCCNCCCCCCOc1c(cccc1C)C
InChi [?]:
InChI=1/C18H31NO/c1-4-5-13-19-14-8-6-7-9-15-20-18-16(2)11-10-12-17(18)3/h10-12,19H,4-9,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,2,3,8,9,7,10,16,17,15,4,6,11,18,14,13,5,12/E:(2,3)(11,12)(16,17)/rA:20nCCCCNCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9408 |
Area: | 557.547 |
Solvation: | -1.9979 |
Coulombic: | -19.4316 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 277.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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