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Chemical ID: 7102922
Chemical ID:
7102922
Name [?]:
N-[(4-methoxyphenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1ccc(cc1)OC
InChi [?]:
InChI=1/C14H23NO/c1-3-4-5-6-11-15-12-13-7-9-14(16-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,3,4,5,10,14,11,13,6,8,9,12,7,15/E:(7,8)(9,10)/rA:16nCCCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO |
All Atoms: | 39 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18751 |
Area: | 462.152 |
Solvation: | -2.36628 |
Coulombic: | -18.3108 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 221.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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