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Chemical ID: 4294465
Chemical ID:
4294465
Name [?]:
N-butyl-5-(2,4-dimethylphenoxy)-pentan-1-amine
SMILES [?]:
CCCCNCCCCCOc1ccc(cc1C)C
InChi [?]:
InChI=1/C17H29NO/c1-4-5-11-18-12-7-6-8-13-19-17-10-9-15(2)14-16(17)3/h9-10,14,18H,4-8,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,2,3,8,7,9,14,13,4,6,10,16,15,17,12,5,11/rA:19nCCCCNCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.21 |
Area: | 536.252 |
Solvation: | -2.19632 |
Coulombic: | -18.6574 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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